SCHEMBL7501544

SCHEMBL7501544

CCOCCn1c(NC2CCN(CCC(CN(C)C(=O)c3ccccc3)c3cccnc3)CC2)nc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 16/20 0.46
KCNH2 Q12809 1/20 0.43
HRH1 P35367 3/20 0.42
TACR1 P25103 1/20 0.41

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
SCHEMBL7497142 0.94 TACR2 (0.50) TACR2KCNH2HRH1
SCHEMBL7492700 0.92 TACR2 (0.48) TACR2KCNH2HRH1
SCHEMBL7489985 0.91 HRH1 (0.43) TACR2KCNH2HRH1
SCHEMBL7497640 0.90 TACR2 (0.48) TACR2KCNH2
SCHEMBL7498625 0.89 TACR2 (0.52) TACR2
SCHEMBL7495879 0.89 TACR2 (0.49) TACR2KCNH2HRH1TACR1
SCHEMBL7499519 0.89 TACR2 (0.52) TACR2
SCHEMBL7498038 0.88 TACR2 (0.52) TACR2KCNH2
SCHEMBL7500135 0.88 KCNH2 (0.54) TACR2KCNH2HRH1TACR1
SCHEMBL7498552 0.88 KCNH2 (0.49) 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 4 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
EP-0888336-A1 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 HOECHST MARION ROUSSEL, INC. (US) 1999-01-07 EP disclosed
WO-1997030989-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL-AMINO)PIPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1997-08-28 WO disclosed