SCHEMBL7499218

SCHEMBL7499218

CN(CC(CCN1CCC(Nc2nc3ccccc3n2CCOC(F)(F)F)CC1)c1ccccc1)C(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 19/20 0.47
KCNH2 Q12809 1/20 0.45

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
SCHEMBL7496369 0.96 TACR2 (0.47) TACR2KCNH2
SCHEMBL7493778 0.95 KCNH2 (0.52) TACR2KCNH2
SCHEMBL7499164 0.93 TACR2 (0.49) TACR2
SCHEMBL7503867 0.92 TACR2 (0.60) TACR2
SCHEMBL7502368 0.92 TACR2 (0.46) TACR2KCNH2
SCHEMBL7494561 0.91 KCNH2 (0.44) TACR2KCNH2
SCHEMBL7497142 0.91 TACR2 (0.50) TACR2KCNH2
SCHEMBL7497636 0.90 TACR2 (0.48) TACR2KCNH2
SCHEMBL7491406 0.90 TACR2 (0.49) TACR2KCNH2
SCHEMBL7492977 0.89 TACR2 (0.48) TACR2KCNH2

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