SCHEMBL7497618

SCHEMBL7497618

CCOCCn1c(NC2CCN(CCC(CN(C)C(=O)c3cc(OC)c(OC)c(OC)c3)c3cccc(Cl)c3)CC2)nc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.45
TACR2 P21452 13/20 0.44
CCR5 P51681 2/20 0.43
KCNH2 Q12809 1/20 0.43
SSTR5 P35346 1/20 0.40

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
SCHEMBL7498168 0.96 TACR2 (0.42) HRH1TACR2CCR5KCNH2
SCHEMBL7502500 0.94 HRH1 (0.45) HRH1TACR2KCNH2SSTR5
SCHEMBL7499627 0.94 HRH1 (0.47) HRH1TACR2KCNH2SSTR5
SCHEMBL7496275 0.94 CCR5 (0.42) HRH1TACR2CCR5KCNH2SSTR5
SCHEMBL7498160 0.93 TACR2 (0.44) TACR2CCR5KCNH2SSTR5
SCHEMBL7495065 0.93 KCNH2 (0.46) HRH1TACR2KCNH2SSTR5
SCHEMBL7494658 0.93 TACR2 (0.53) HRH1TACR2
SCHEMBL7497827 0.93 KCNH2 (0.49) TACR2CCR5KCNH2SSTR5
SCHEMBL7496195 0.92 TACR2 (0.42) HRH1TACR2CCR5KCNH2SSTR5
SCHEMBL7495454 0.92 HRH1 (0.47) HRH1TACR2KCNH2

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