SCHEMBL7494083

SCHEMBL7494083

Cc1ccc(C(=O)N(C)CC(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(C(=O)O)cc3)CC2)c2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 19/20 0.58
KCNH2 Q12809 1/20 0.53

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
SCHEMBL7503258 0.97 TACR2 (0.62) TACR2
SCHEMBL7490304 0.91 TACR2 (0.60) TACR2
SCHEMBL7496774 0.91 TACR2 (0.61) TACR2
SCHEMBL7494271 0.90 TACR2 (0.62) TACR2
SCHEMBL7497743 0.90 TACR2 (0.56) TACR2
SCHEMBL7492266 0.89 TACR2 (0.54) TACR2
SCHEMBL7494253 0.89 TACR2 (0.57) TACR2
SCHEMBL7496651 0.88 TACR2 (0.59) TACR2
SCHEMBL7500123 0.88 TACR2 (0.59) TACR2
SCHEMBL7500316 0.87 TACR2 (0.59) 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