SCHEMBL7500316

SCHEMBL7500316

Cc1ccc(Cn2c(NC3CCN(CCC(CN(C)C(=O)c4ccccc4)c4ccc(Cl)c(Cl)c4)CC3)nc3ccccc32)o1

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 20/20 0.59

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
SCHEMBL7500757 0.93 TACR2 (0.49) TACR2
SCHEMBL7497688 0.92 TACR2 (0.49) TACR2
SCHEMBL7496183 0.92 TACR2 (0.47) TACR2
SCHEMBL7496205 0.92 TACR2 (0.49) TACR2
SCHEMBL7495530 0.91 TACR2 (0.47) TACR2
SCHEMBL7492475 0.90 TACR2 (0.60) TACR2
SCHEMBL7489870 0.90 SSTR5 (0.48) TACR2
SCHEMBL7498938 0.90 TACR2 (0.47) TACR2
SCHEMBL7499047 0.89 KCNH2 (0.49) TACR2
SCHEMBL7497951 0.89 TACR2 (0.45) 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