SCHEMBL3375661

SCHEMBL3375661

O=C(O)N1CC=Cc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 15/20 0.44
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
SCN4A P35499 1/20 0.43
SCN5A Q14524 1/20 0.43
SCN9A Q15858 1/20 0.43
P2RX1 P51575 6/20 0.41
P2RX3 P56373 6/20 0.41
P2RX7 Q99572 3/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B3 P37058 1/20 0.37
PTBP1 P26599 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29376182 1.00 P2RX4 (0.44) P2RX4LMNATSHRMAPK1SCN4A
SCHEMBL3241414 0.86 P2RX4 (0.42) P2RX4LMNATSHRMAPK1SCN4A
SCHEMBL8705933 0.84 P2RX4 (0.57) P2RX4LMNATSHRMAPK1SCN4A
Indole SCHEMBL28214491 0.84 TRPA1 (0.45) P2RX4LMNATSHRMAPK1SCN4A
SCHEMBL1477941 0.84 NOTUM (0.46) P2RX4LMNATSHRMAPK1SCN4A
SCHEMBL1286806 0.84 LMNA (0.55) P2RX4LMNATSHRMAPK1SCN4A
Quinoline SCHEMBL28157604 0.83 ALDH1A1 (0.44) P2RX4LMNAMAPK1MEN1KMT2A
Isoquinoline SCHEMBL28075529 0.83 P2RX4 (0.38) P2RX4LMNATSHRMAPK1SCN4A
SCHEMBL7832555 0.82 P2RX4 (0.42) P2RX4LMNATSHRMAPK1SCN4A
Hydrochloric Acid SCHEMBL28145471 0.82 LMNA (0.53) P2RX4LMNATSHRMAPK1SCN4A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 95 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106029076-B Benzo piperazine composition as BET bromine domain inhibitor 福马疗法公司 2019-06-07 CN claimed
CN-109843298-A The combination treatment of utilization method Buddhist nun ester X receptor (FXR) regulator 阿卡纳治疗学有限公司 2019-06-04 CN claimed
CN-104910148-B Aminotriazole(ATA) and pyridine and its as kinase inhibitor purposes 西格诺药品有限公司 2017-06-27 CN claimed
EP-2970129-A2 CRYSTALS OF LAQUINIMOD SODIUM AND IMPROVED PROCESS FOR THE MANUFACTURE THEREOF Teva Pharmaceutical Industries Ltd. (IL) 2016-01-20 EP claimed
WO-2014153145-A2 CRYSTALS OF LAQUINIMOD SODIUM AND IMPROVED PROCESS FOR THE MANUFACTURE THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2014-09-25 WO claimed
EP-0934276-B1 ANTHRANILIC ACID DERIVATIVES AS MULTI DRUG RESISTANCE MODULATORS XENOVA LTD (GB) 2003-12-17 EP claimed
CN-1458840-A Pharmaceutical composition of cholesteryl ester transfer protein inhibitor PFIZER PROD INC (US) 2003-11-26 CN claimed
EP-0885232-A1 NOVEL 1(2H) QUINOLINE CARBOXYLIC ACID DERIVATIVES, METHOD FOR PREPARING SAME, AND USE THEREOF FOR SYNTHESISING SUBSTANCES HAVING ANTIBIOTIC PROPERTIES HOECHST MARION ROUSSEL (FR) 1998-12-23 EP claimed
WO-1997031926-A1 NOVEL 1(2H) QUINOLINE CARBOXYLIC ACID DERIVATIVES, METHOD FOR PREPARING SAME, AND USE THEREOF FOR SYNTHESISING SUBSTANCES HAVING ANTIBIOTIC PROPERTIES HOECHST MARION ROUSSEL (FR) 1997-09-04 WO claimed
US-4013468-A Method of hardening a protein-containing layer of a silver halide photographic material with an alkyl ester of 1,2-dihydroquinoline-N-carboxylic acid AGFA-GEVAERT, A.G. (DT) 1977-03-22 US claimed
CN-119954828-A Parallel ring compound and preparation and application thereof 石药集团中奇制药技术(石家庄)有限公司 2025-05-09 CN disclosed
CN-116322699-B Parallel ring compound and preparation and application thereof 石药集团中奇制药技术(石家庄)有限公司 2025-02-11 CN disclosed
EP-4392425-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AS PARP INHIBITORS AND USE THEREOF Impact Therapeutics (Shanghai), Inc. (CN) 2024-07-03 EP disclosed
WO-2024109671-A1 CAS9 PROTEIN, VARIANTS, OR HOMOLOGUES THEREOF-SPECIFIC PROTAC DEGRADERS AND USES THEREOF GLUETACS THERAPEUTICS (SHANGHAI) CO., LTD. (CN) 2024-05-30 WO disclosed
WO-2023241627-A1 CDK8/19 DUAL INHIBITORS AND METHODS OF USE THEREOF INSILICO MEDICINE IP LIMITED (CN) 2023-12-21 WO disclosed
WO-1998032442-A1 QUINOXALINE IN TRIPLE COMBINATION WITH PROTEASE INHIBITORS AND REVERSE TRANSCRIPTASE INHIBITORS AS MEDICINES FOR TREATING AIDS BAYER AKTIENGESELLSCHAFT (DE) 1998-07-30 WO disclosed
WO-1997031926-A1 NOVEL 1(2H) QUINOLINE CARBOXYLIC ACID DERIVATIVES, METHOD FOR PREPARING SAME, AND USE THEREOF FOR SYNTHESISING SUBSTANCES HAVING ANTIBIOTIC PROPERTIES HOECHST MARION ROUSSEL (FR) 1997-09-04 WO disclosed
WO-1993012091-A1 D- AND L-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-1-CARBOXYLIC ACIDS AND THEIR DERIVATIVES CONTAINING URETHANE-TYPE N-PROTECTING GROUPS AS WELL AS A PROCESS FOR PREPARING THEM AND THE CORRESPONDING RACEMATES Gyógyszerkutató Intézet Kft. (HU) 1993-06-24 WO disclosed
US-4013468-A Method of hardening a protein-containing layer of a silver halide photographic material with an alkyl ester of 1,2-dihydroquinoline-N-carboxylic acid AGFA-GEVAERT, A.G. (DT) 1977-03-22 US disclosed
US-4013468-A Method of hardening a protein-containing layer of a silver halide photographic material with an alkyl ester of 1,2-dihydroquinoline-N-carboxylic acid AGFA-GEVAERT, A.G. (DT) 1977-03-22 US disclosed