SCHEMBL7547633

SCHEMBL7547633

COc1cc(C(=O)N(C)CC(CCN2CCC(Nc3nc4ccccc4n3CCOCC(F)(F)F)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
SCHEMBL7492951 0.94 TACR2 (0.42) TACR2
SCHEMBL7495302 0.94 KCNH2 (0.42) TACR2
SCHEMBL7494658 0.94 TACR2 (0.53) TACR2
SCHEMBL7496275 0.93 CCR5 (0.42) TACR2
SCHEMBL7502600 0.93 TACR2 (0.51) TACR2
SCHEMBL7496857 0.93 KCNH2 (0.43) TACR2
SCHEMBL7499795 0.93 KCNH2 (0.41) TACR2
SCHEMBL7493728 0.92 SSTR5 (0.45) TACR2
SCHEMBL7495098 0.92 KCNH2 (0.48) TACR2
SCHEMBL7492669 0.92 TACR2 (0.51) 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