SCHEMBL7499166

SCHEMBL7499166

CN(CC(CCN1CCC(Nc2nc3ccccc3n2Cc2ccccn2)CC1)c1ccc2c(c1)OCO2)C(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 19/20 0.48
CCR5 P51681 1/20 0.44

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
SCHEMBL7495541 0.92 HRH1 (0.43) TACR2CCR5
SCHEMBL7495363 0.90 TACR2 (0.51) TACR2
SCHEMBL8392686 0.90 TACR2 (0.49) TACR2
SCHEMBL7500011 0.89 TACR2 (0.50) TACR2
SCHEMBL7500482 0.89 TACR2 (0.62) TACR2
SCHEMBL7498795 0.89 SSTR5 (0.53) TACR2
SCHEMBL7547390 0.88 TACR2 (0.52) TACR2
SCHEMBL7498745 0.88 SSTR5 (0.49) TACR2
SCHEMBL7490246 0.88 TACR2 (0.48) TACR2
SCHEMBL7498347 0.88 TACR2 (0.49) 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