SCHEMBL6595065

SCHEMBL6595065

COc1cc(C(=O)N(C)CC(CCN2CCCN(c3nc4ccccc4n3CCOC(F)(F)F)CC2)c2ccccc2)cc(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 4/20 0.40
TACR1 P25103 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
SCHEMBL6599589 0.96 LMNA (0.42) TACR2
SCHEMBL6595056 0.96 TACR2 (0.39) TACR2
SCHEMBL6595980 0.94 TACR2 (0.40) TACR2
SCHEMBL6595577 0.93 TACR2 (0.50) TACR2TACR1
SCHEMBL6592360 0.92 TACR2 (0.39) TACR2
SCHEMBL6596863 0.91 TACR2 (0.41) TACR2TACR1
SCHEMBL6596753 0.91 HRH1 (0.44)
SCHEMBL6600017 0.91 TACR2 (0.46) TACR2
SCHEMBL6596687 0.91 TACR2 (0.43) TACR2TACR1
SCHEMBL6596448 0.89 TACR2 (0.41) 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