SCHEMBL7497445

SCHEMBL7497445

COc1cc(C(=O)N(C)CC(CCN2CCC(Nc3nc4ccccc4n3Cc3ccccn3)CC2)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 18/20 0.52
HRH1 P35367 2/20 0.50

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
SCHEMBL7497535 0.94 HRH1 (0.46) TACR2HRH1
SCHEMBL7500082 0.93 HRH1 (0.45) TACR2HRH1
SCHEMBL7495953 0.93 HRH1 (0.45) TACR2HRH1
SCHEMBL7501186 0.93 HRH1 (0.48) TACR2HRH1
SCHEMBL7498139 0.92 HRH1 (0.44) TACR2HRH1
SCHEMBL7494931 0.92 HRH1 (0.49) TACR2HRH1
SCHEMBL7493359 0.92 HRH1 (0.45) TACR2HRH1
SCHEMBL7502476 0.92 HRH1 (0.49) TACR2HRH1
SCHEMBL7496872 0.92 TACR2 (0.52) TACR2
SCHEMBL7494412 0.92 HRH1 (0.46) TACR2HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888336-B1 NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL-AMINO)P IPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES AVENTIS PHARMA INC (US) 2002-08-07 EP disclosed
US-5922737-A Substituted N-methyl-N-(4-(4-(1H-Benzimidazol-2-YL-amino) piperidin-1-YL)-2-(arlyl) butyl) benzamides useful for the treatment of allergic diseases HOECHST MARION ROUSSEL, INC. (US) 1999-07-13 US disclosed