SCHEMBL6596996

SCHEMBL6596996

COc1cc(C(=O)N(C)CC(CCN2CCCN(c3nc4ccccc4n3CCOCc3ccco3)CC2)c2ccc(F)cc2)cc(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.45
TACR2 P21452 1/20 0.36

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
SCHEMBL6596301 0.92 HRH1 (0.42) HRH1TACR2
SCHEMBL6594702 0.91 HRH1 (0.43) HRH1
SCHEMBL6591811 0.89 HRH1 (0.38) HRH1TACR2
SCHEMBL6596673 0.88 HRH1 (0.39) HRH1TACR2
SCHEMBL6604969 0.88 HRH1 (0.41) HRH1
SCHEMBL6595056 0.88 TACR2 (0.39) HRH1TACR2
SCHEMBL6594153 0.87 HRH1 (0.45) HRH1TACR2
SCHEMBL6597371 0.87 ALDH1A1 (0.45) HRH1TACR2
SCHEMBL6595781 0.87 HRH1 (0.42) HRH1TACR2
SCHEMBL7478844 0.87 HRH1 (0.60) HRH1

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