SCHEMBL7494253

SCHEMBL7494253

CCOCCn1c(NC2CCN(CCC(CN(C)C(=O)c3ccc(C)cc3)c3ccc(Cl)c(Cl)c3)CC2)nc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 20/20 0.57

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
SCHEMBL7502938 0.95 TACR2 (0.58) TACR2
SCHEMBL7489950 0.95 TACR2 (0.63) TACR2
SCHEMBL7501636 0.93 TACR2 (0.55) TACR2
SCHEMBL7495763 0.92 TACR2 (0.60) TACR2
SCHEMBL7494658 0.90 TACR2 (0.53) TACR2
SCHEMBL7502110 0.90 TACR2 (0.53) TACR2
SCHEMBL7488361 0.89 TACR2 (0.58) TACR2
SCHEMBL7494083 0.89 TACR2 (0.58) TACR2
SCHEMBL7495755 0.88 TACR2 (0.62) TACR2
SCHEMBL7498625 0.88 TACR2 (0.52) 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