SCHEMBL3638413

SCHEMBL3638413

CNCCC(c1ccccc1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 1.00
HRH1 P35367 5/20 1.00
SLC6A4 P31645 9/20 0.62
SLC6A2 P23975 7/20 0.61
KCNH2 Q12809 6/20 0.61
SLC6A3 Q01959 6/20 0.61
CYP3A4 P08684 6/20 0.61
CYP2D6 P10635 6/20 0.61
CYP1A2 P05177 5/20 0.61
OPRM1 P35372 4/20 0.61
DRD3 P35462 4/20 0.61
CHRM1 P11229 3/20 0.61
HTR2B P41595 3/20 0.61
HTR1A P08908 2/20 0.61
ADORA3 P0DMS8 2/20 0.61
ADRA1A P35348 2/20 0.61
LMNA P02545 2/20 0.61
CYP2C19 P33261 2/20 0.61
CHRM2 P08172 1/20 0.61
ADRA2A P08913 1/20 0.61

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
Hydrochloric Acid SCHEMBL5223012 0.98 HTR2A (0.95) HTR2AHRH1SLC6A4SLC6A2KCNH2
SCHEMBL28113806 0.86 HTR2A (1.00) HTR2AHRH1SLC6A4SLC6A2KCNH2
SCHEMBL11381572 0.85 HTR2A (0.72) HTR2AHRH1SLC6A4SLC6A2KCNH2
Hydrochloric Acid SCHEMBL11389802 0.85 HTR2A (0.96) HTR2AHRH1SLC6A4SLC6A2KCNH2
SCHEMBL4811791 0.84 HTR2A (0.70) HTR2AHRH1SLC6A4SLC6A2KCNH2
SCHEMBL6900402 0.84 HTR2A (0.70) HTR2AHRH1SLC6A4SLC6A2KCNH2
Hydrochloric Acid SCHEMBL29009216 0.82 HTR2A (0.68) HTR2AHRH1SLC6A4SLC6A2KCNH2
SCHEMBL19905186 0.82 HTR2A (0.69) HTR2AHRH1SLC6A4SLC6A2KCNH2
SCHEMBL2471404 0.82 HTR2A (0.69) HTR2AHRH1SLC6A4SLC6A2KCNH2
SCHEMBL14494818 0.82 HTR2A (0.69) HTR2AHRH1SLC6A4SLC6A2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114920647-A Novel synthesis process of intermediate side chain alcohol of medicine for treating primary hypertension 苏州虞美景盛新药开发有限公司 2022-08-19 CN claimed
CN-110563420-B Construction method of pool 中地国际工程有限公司 2021-10-29 CN claimed
CN-110563420-A construction method of pool 中地国际工程有限公司 2019-12-13 CN claimed
EP-0743853-B1 COMPOUNDS ACTIVE AT A NOVEL SITE ON RECEPTOR-OPERATED CALCIUM CHANNELS USEFUL FOR TREATMENT OF NEUROLOGICAL DISORDERS AND DISEASES NPS PHARMA INC (US) 2001-05-02 EP claimed
CN-115677512-A Method for synthesizing lercanidipine intermediate N-methyl-3,3-diphenylpropylamine hydrochloride 大连万福制药有限公司 2023-02-03 CN disclosed
CN-114920647-A Novel synthesis process of intermediate side chain alcohol of medicine for treating primary hypertension 苏州虞美景盛新药开发有限公司 2022-08-19 CN disclosed
CN-114920647-A Novel synthesis process of intermediate side chain alcohol of medicine for treating primary hypertension 苏州虞美景盛新药开发有限公司 2022-08-19 CN disclosed
CN-110563420-B Construction method of pool 中地国际工程有限公司 2021-10-29 CN disclosed
CN-110563420-B Construction method of pool 中地国际工程有限公司 2021-10-29 CN disclosed
CN-110563420-A construction method of pool 中地国际工程有限公司 2019-12-13 CN disclosed
CN-110563420-A construction method of pool 中地国际工程有限公司 2019-12-13 CN disclosed
EP-3569593-A1 PRODUCTION OF AMINES VIA A HYDROAMINOMETHYLATION REACTION Universität Wien (AT) 2019-11-20 EP disclosed
US-4806534-A SMOOTH MUSCLE RELAXANT, CALCIUM ANTAGONIST RECORDATI S.A., CHEMICAL & PHARMACEUTICAL COMPANY (CH) 1989-02-21 US disclosed
EP-0299349-A2 N-substituted-5,6-dimethoxy-1,2-benzisoxazole-3-propanamine and related compounds, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1989-01-18 EP disclosed
US-4772621-A Antihypertensive diphenylpropyl aminopropyl ester of 1,4-dihydro-2,6-dimethyl-pyridine-3,5-dicarboxylic acid RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1988-09-20 US disclosed
US-4705797-A HYPOTENSIVE AGENTS, VASODILATORS RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1987-11-10 US disclosed
EP-0163458-A1 Tetrahydronaphthalenols for the treatment of hypertension E.R. Squibb & Sons, Inc. (US) 1985-12-04 EP disclosed
EP-0153016-A2 Asymmetrical diesters of 1,4-dihydro-2,6-dimethyl-pyridine-3,5-dicarboxylic acid RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 1985-08-28 EP disclosed
US-4246201-A Substituted N-(3-phenylthiopropyl)-3,3-diphenyl-propylamines possessing pharmacological activity ALFA FARMACEUTICI, S.P.A. (IT) 1981-01-20 US disclosed
US-3946063-A 2,3,4,5,6-PENTAFLUOROBENZYL CHLOROFORMATE PIERCE CHEMICAL COMPANY (US) 1976-03-23 US disclosed