SCHEMBL7491883

SCHEMBL7491883

CN(CC(CCN1CCC(Nc2nc3ccccc3n2Cc2ccco2)CC1)c1ccccc1)C(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 17/20 0.47
KCNH2 Q12809 2/20 0.44
SSTR5 P35346 1/20 0.43

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
SCHEMBL7501620 0.95 SSTR5 (0.49) TACR2KCNH2SSTR5
SCHEMBL7502092 0.95 TACR2 (0.49) TACR2
SCHEMBL7496638 0.94 KCNH2 (0.50) TACR2KCNH2SSTR5
SCHEMBL7498156 0.93 TACR2 (0.49) TACR2
SCHEMBL7497421 0.92 TACR2 (0.46) TACR2KCNH2SSTR5
SCHEMBL7492475 0.92 TACR2 (0.60) TACR2
SCHEMBL7496970 0.92 TACR2 (0.48) TACR2
SCHEMBL7502025 0.91 HRH1 (0.48) TACR2KCNH2SSTR5
SCHEMBL7492404 0.91 TACR2 (0.47) TACR2KCNH2
SCHEMBL7496183 0.89 TACR2 (0.47) TACR2KCNH2SSTR5

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