SCHEMBL7501964

SCHEMBL7501964

CCOCCn1c(NC2CCN(CCC(CN(C)C(=O)c3cc(OC)c(OC)c(OC)c3)c3ccc(C(F)(F)F)cc3)CC2)nc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 8/20 0.43
KCNH2 Q12809 5/20 0.42
TACR2 P21452 7/20 0.41
SSTR5 P35346 1/20 0.40
CHRM1 P11229 1/20 0.38

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
SCHEMBL7494730 0.94 HRH1 (0.42) HRH1KCNH2TACR2SSTR5CHRM1
SCHEMBL7493089 0.93 SSTR5 (0.47) HRH1KCNH2TACR2SSTR5CHRM1
SCHEMBL7499627 0.93 HRH1 (0.47) HRH1KCNH2TACR2SSTR5
SCHEMBL7495286 0.93 KCNH2 (0.51) HRH1KCNH2TACR2SSTR5CHRM1
SCHEMBL7492400 0.93 HRH1 (0.44) HRH1KCNH2TACR2SSTR5CHRM1
SCHEMBL7502500 0.92 HRH1 (0.45) HRH1KCNH2TACR2SSTR5
SCHEMBL7496857 0.92 KCNH2 (0.43) HRH1KCNH2TACR2SSTR5CHRM1
SCHEMBL7495454 0.91 HRH1 (0.47) HRH1KCNH2TACR2
SCHEMBL7493728 0.91 SSTR5 (0.45) HRH1KCNH2TACR2SSTR5CHRM1
SCHEMBL7495098 0.91 KCNH2 (0.48) HRH1KCNH2TACR2SSTR5CHRM1

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