SCHEMBL6590639

SCHEMBL6590639

COc1ccc(-n2cnnn2)cc1C(=O)N(C)CC(CCN1CCCN(c2nc3ccccc3n2CC(F)(F)F)CC1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 18/20 0.44

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
SCHEMBL6600168 0.93 TACR2 (0.42) TACR2
SCHEMBL6595786 0.93 TACR2 (0.43) TACR2
SCHEMBL6596468 0.93 TACR2 (0.34) TACR2
SCHEMBL6596914 0.91 TACR2 (0.44) TACR2
SCHEMBL6595022 0.91 TACR2 (0.44) TACR2
SCHEMBL6596278 0.91 TACR2 (0.44) TACR2
SCHEMBL6597085 0.91 TACR2 (0.44) TACR2
SCHEMBL6597091 0.91 TACR2 (0.44) TACR2
SCHEMBL6597567 0.89 TACR2 (0.43) TACR2
SCHEMBL6597880 0.89 TACR2 (0.42) TACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888338-B1 NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL) 1,4]DIAZEPAN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES AVENTIS PHARMA INC (US) 2004-11-17 EP disclosed
EP-0888338-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL) 1,4]DIAZEPAN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1999-01-07 EP disclosed
WO-1997030991-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL)[1,4]DIAZEPAN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1997-08-28 WO disclosed