SCHEMBL7499566

SCHEMBL7499566

COc1cc(C(=O)N(C)CC(CCN2CCC(Nc3nc4ccccc4n3Cc3ccoc3)CC2)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 20/20 0.49

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
SCHEMBL7499492 0.94 SSTR5 (0.45) TACR2
SCHEMBL7503230 0.94 SSTR5 (0.44) TACR2
SCHEMBL7502374 0.93 SSTR5 (0.44) TACR2
SCHEMBL7493351 0.93 SSTR5 (0.45) TACR2
SCHEMBL7492339 0.92 KCNH2 (0.48) TACR2
SCHEMBL7494749 0.92 SSTR5 (0.45) TACR2
SCHEMBL7491773 0.92 SSTR5 (0.51) TACR2
SCHEMBL7496872 0.92 TACR2 (0.52) TACR2
SCHEMBL7496651 0.92 TACR2 (0.59) TACR2
SCHEMBL7501087 0.91 KCNH2 (0.44) 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 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