SCHEMBL7500947

SCHEMBL7500947

CN(CC(CCN1CCC(Nc2nc3ccccc3n2Cc2ccco2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 20/20 0.55

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
SCHEMBL7492475 0.96 TACR2 (0.60) TACR2
SCHEMBL7492266 0.96 TACR2 (0.54) TACR2
SCHEMBL7493748 0.94 TACR2 (0.53) TACR2
SCHEMBL7502092 0.93 TACR2 (0.49) TACR2
SCHEMBL7492105 0.90 TACR2 (0.50) TACR2
SCHEMBL7498156 0.90 TACR2 (0.49) TACR2
SCHEMBL7496970 0.89 TACR2 (0.48) TACR2
SCHEMBL7491883 0.88 TACR2 (0.47) TACR2
SCHEMBL7495720 0.88 TACR2 (0.57) TACR2
SCHEMBL7494473 0.88 HRH1 (0.46) 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