SCHEMBL7494080

SCHEMBL7494080

CCCOCCn1c(NC2CCN(CCC(CN(C)C(=O)c3cc(OC)c(OC)c(OC)c3)c3ccccc3)CC2)nc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.45
HRH1 P35367 3/20 0.43
TACR2 P21452 11/20 0.42
SSTR5 P35346 1/20 0.40
CCR5 P51681 1/20 0.39

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
SCHEMBL7499627 0.96 HRH1 (0.47) KCNH2HRH1TACR2SSTR5
SCHEMBL7494668 0.96 KCNH2 (0.49) KCNH2HRH1TACR2SSTR5
SCHEMBL7499813 0.95 SSTR5 (0.46) KCNH2HRH1TACR2SSTR5
SCHEMBL7498168 0.94 TACR2 (0.42) KCNH2HRH1TACR2CCR5
SCHEMBL7492669 0.93 TACR2 (0.51) TACR2
SCHEMBL7504280 0.92 KCNH2 (0.52) KCNH2TACR2SSTR5CCR5
SCHEMBL7496857 0.92 KCNH2 (0.43) KCNH2HRH1TACR2SSTR5CCR5
SCHEMBL7495286 0.92 KCNH2 (0.51) KCNH2HRH1TACR2SSTR5
SCHEMBL7492400 0.92 HRH1 (0.44) KCNH2HRH1TACR2SSTR5
SCHEMBL7494069 0.92 KCNH2 (0.47) KCNH2HRH1TACR2SSTR5CCR5

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