SCHEMBL7494148

SCHEMBL7494148

CCCCn1c(NC2CCN(CCC(CN(C)C(=O)c3cc(OC)c(OC)c(OC)c3)c3ccc(Cl)cc3)CC2)nc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.47
TACR2 P21452 14/20 0.44
SSTR5 P35346 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 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
SCHEMBL7502500 0.93 HRH1 (0.45) KCNH2TACR2SSTR5
SCHEMBL7504280 0.93 KCNH2 (0.52) KCNH2TACR2SSTR5
SCHEMBL7494649 0.92 KCNH2 (0.58) KCNH2TACR2SSTR5OPRM1OPRD1
SCHEMBL7497827 0.92 KCNH2 (0.49) KCNH2TACR2SSTR5
SCHEMBL7496225 0.92 TACR2 (0.52) KCNH2TACR2
SCHEMBL7497058 0.92 KCNH2 (0.50) KCNH2TACR2SSTR5OPRM1OPRD1
SCHEMBL7495817 0.90 SSTR5 (0.55) KCNH2TACR2SSTR5OPRM1OPRD1
SCHEMBL7492951 0.89 TACR2 (0.42) KCNH2TACR2SSTR5OPRM1OPRD1
SCHEMBL7497535 0.89 HRH1 (0.46) KCNH2TACR2SSTR5OPRM1OPRD1
SCHEMBL7494473 0.88 HRH1 (0.46) KCNH2TACR2SSTR5OPRM1OPRD1

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