SCHEMBL6586547

SCHEMBL6586547

C1=CNC2=Nc3ccccc3C=NC2=C1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.33

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
SCHEMBL3370800 0.71
SCHEMBL2729711 0.70 CYP1A2 (0.37)
SCHEMBL11016288 0.68 L3MBTL1 (0.43)
SCHEMBL5248852 0.64 TRPA1 (0.32) TRPA1
SCHEMBL15075855 0.63
SCHEMBL30691872 0.63 TRPA1 (0.58) TRPA1
SCHEMBL9926021 0.63 TRPA1 (0.58) TRPA1
SCHEMBL29633894 0.63
SCHEMBL5050147 0.63 TRPA1 (0.58) TRPA1
SCHEMBL4760147 0.62 TRPA1 (0.36) TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1427724-A1 NOVEL USE OF SUBSTITUTED AMINOMETHYL CHROMANS MERCK PATENT GmbH (DE) 2004-06-16 EP disclosed
WO-2003024960-A1 NOVEL USE OF SUBSTITUTED AMINOMETHYL CHROMANS MERCK PATENT GMBH (DE) 2003-03-27 WO disclosed
US-5593979-A TREATMENT OF AIDS WITH ENZYME INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1997-01-14 US disclosed
US-5593979-A TREATMENT OF AIDS WITH ENZYME INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1997-01-14 US disclosed
EP-0498290-B1 Pyridobenzodiazepines, dipyrido [3,2-b:2',3'-e] [1,4]diazepines and their use in the prevention or treatment of HIV infection BOEHRINGER INGELHEIM PHARMA (US) 1996-09-18 EP disclosed
EP-0498290-A1 Pyridobenzodiazepines, dipyrido [3,2-b:2',3'-e] [1,4]diazepines and their use in the prevention or treatment of HIV infection BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1992-08-12 EP disclosed
US-4668675-A ANTIDEPRESSANTS A. H. ROBINS COMPANY, INCORPORATED (US) 1987-05-26 US disclosed
US-4556667-A (2-((AMINOPYRIDINYL)AMINO)PHENYL)ARYLMETHANONE INTERMEDIATES A. H. ROBINS COMPANY, INCORPORATED (US) 1985-12-03 US disclosed
US-4495183-A ANTIULCER AGENTS- GASTROLINTESTINAL DISORDERS A. H. ROBINS COMPANY, INCORPORATED (US) 1985-01-22 US disclosed
US-4447361-A ANTIDEPRESSANT A. H. ROBINS COMPANY, INC. (US) 1984-05-08 US disclosed
US-4311562-A Method for inhibiting deposit formation in process equipment associated with separation and purification of alkyl phosphorochloridothioates ETHYL CORPORATION (US) 1982-01-19 US disclosed
US-4292139-A Method for inhibiting deposit formation in distillation units associated with separation and purification of alkyl phosphorochloridothioates ETHYL CORPORATION (US) 1981-09-29 US disclosed