SCHEMBL7501603

SCHEMBL7501603

CCOCCn1c(NC2CCN(CCC(CN(C)C(=O)c3ccccc3)c3ccc(OC)c(OC)c3)CC2)nc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 19/20 0.50
KCNH2 Q12809 1/20 0.46

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
SCHEMBL7495454 0.94 HRH1 (0.47) TACR2KCNH2
SCHEMBL8455695 0.93 TACR2 (0.51) TACR2
SCHEMBL7504134 0.93 TACR2 (0.47) TACR2KCNH2
SCHEMBL7498038 0.91 TACR2 (0.52) TACR2KCNH2
SCHEMBL7500135 0.91 KCNH2 (0.54) TACR2KCNH2
SCHEMBL7497142 0.91 TACR2 (0.50) TACR2KCNH2
SCHEMBL7498552 0.91 KCNH2 (0.49) TACR2KCNH2
SCHEMBL7489950 0.90 TACR2 (0.63) TACR2
SCHEMBL7494646 0.90 TACR2 (0.51) TACR2
SCHEMBL7499627 0.90 HRH1 (0.47) 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