SCHEMBL6500358

SCHEMBL6500358

Brc1cccc(CCI)c1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.63
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.54
ALOX12 P18054 1/20 0.54
CASP1 P29466 1/20 0.54
HSD17B10 Q99714 1/20 0.54
IDO1 P14902 2/20 0.50
AGXT P21549 2/20 0.50
MAOB P27338 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SIGMAR1 Q99720 2/20 0.42
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41

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
SCHEMBL29756502 1.00 TAAR1 (0.63) TAAR1ALDH1A1HPGDALOX15ALOX12
SCHEMBL7596449 0.87 TAAR1 (0.59) TAAR1IDO1AGXTMAOBSMN1; SMN2
SCHEMBL4399626 0.85 TAAR1 (0.74) TAAR1IDO1AGXTMAOBSMN1; SMN2
SCHEMBL9660784 0.84 TAAR1 (0.65) TAAR1IDO1AGXTMAOBTDP1
SCHEMBL22288272 0.83 ALDH1A1 (0.68) TAAR1ALDH1A1HPGDALOX15ALOX12
SCHEMBL1044821 0.82 TAAR1 (0.63) TAAR1IDO1AGXTMAOBSMN1; SMN2
SCHEMBL2197501 0.81
SCHEMBL5240585 0.81 TAAR1 (0.68) TAAR1IDO1AGXTMAOBSMN1; SMN2
SCHEMBL13569139 0.80 TAAR1 (0.61) TAAR1ALOX15IDO1AGXTMAOB
SCHEMBL5139428 0.80 TAAR1 (0.61) TAAR1ALOX15IDO1AGXTMAOB

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119894882-A Tertiary amine compound, preparation method and medical application thereof 深圳信立泰药业股份有限公司 2025-04-25 CN disclosed
WO-2024217537-A1 TERTIARY AMINE COMPOUND AS WELL AS PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 深圳信立泰药业股份有限公司 2024-10-24 WO disclosed
WO-2024199069-A1 POLYARYL-CONTAINING MACROCYCLIC COMPOUND AND USE THEREOF 浙江养生堂天然药物研究所有限公司 2024-10-03 WO disclosed
CN-118724916-A Polyaryl-containing macrocyclic compounds and uses thereof 浙江养生堂天然药物研究所有限公司 2024-10-01 CN disclosed
CN-114716296-B Efficient halogenation synthesis method of alkyl halide 润药仁智(北京)科技有限公司 2023-12-12 CN disclosed
CN-114716296-A Efficient halogenation synthesis method of alkyl halide 北京大学 2022-07-08 CN disclosed
WO-2014201073-A1 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-18 WO disclosed
WO-2005014525-A2 BI-ARYL COMPOUND HAVING IMMUNOSUPPRESSIVE ACTIVITY MITSUBISHI PHARMA CORPORATION (JP) 2005-02-17 WO disclosed
US-20020028886-A1 Fluorocopolymer and process for preparing the same NIPPON MEKTRON, LTD. 2002-03-07 US disclosed
US-6281312-B1 USING AN ORGANOHALOGEN COMPOUND NIPPON MEKTRON, LTD. (JP) 2001-08-28 US disclosed
EP-0771196-B1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1999-12-08 EP disclosed
US-5717109-A CARBOXYCYCLOPROPYL GLYCINE DERIVATIVES; USEFUL FOR TREATMENT OF ACUTE OR CHRONIC NEURODEGENERATIVE CONDITIONS, AND AS ANTIPSYCHOTIC, ANTICONVULSANT, ANALGESIC, ANXIOLYTIC, ANTIDEPRESSANT AND ANTI-EMETIC AGENTS ELI LILLY AND COMPANY (US) 1998-02-10 US disclosed
EP-0771196-A4 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1997-09-03 EP disclosed
EP-0771196-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-05-07 EP disclosed
WO-1996007405-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-03-14 WO disclosed