SCHEMBL7496320

SCHEMBL7496320

COc1cc(C(=O)N(C)CC(CCN2CCC(Nc3nc4ccccc4n3CC(F)(F)F)CC2)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 20/20 0.52

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
SCHEMBL7499132 0.93 TACR2 (0.51) TACR2
SCHEMBL7492486 0.93 CCR5 (0.44) TACR2
SCHEMBL7500125 0.93 KCNH2 (0.44) TACR2
SCHEMBL7547633 0.92 TACR2 (0.49) TACR2
SCHEMBL7502600 0.92 TACR2 (0.51) TACR2
SCHEMBL7492820 0.92 KCNH2 (0.49) TACR2
SCHEMBL7496232 0.92 SSTR5 (0.47) TACR2
SCHEMBL7503912 0.91 TACR2 (0.62) TACR2
SCHEMBL7503203 0.91 TACR2 (0.57) TACR2
SCHEMBL7496491 0.91 TACR2 (0.53) 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