SCHEMBL7502500

SCHEMBL7502500

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

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.45
TACR2 P21452 14/20 0.45
KCNH2 Q12809 2/20 0.44
SSTR5 P35346 1/20 0.41
TACR1 P25103 1/20 0.41
TACR3 P29371 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
SCHEMBL7499627 0.95 HRH1 (0.47) HRH1TACR2KCNH2SSTR5
SCHEMBL7495286 0.94 KCNH2 (0.51) HRH1TACR2KCNH2SSTR5TACR1
SCHEMBL7494658 0.94 TACR2 (0.53) HRH1TACR2TACR1TACR3
SCHEMBL7497618 0.94 HRH1 (0.45) HRH1TACR2KCNH2SSTR5
SCHEMBL7493089 0.94 SSTR5 (0.47) HRH1TACR2KCNH2SSTR5TACR1
SCHEMBL7492951 0.93 TACR2 (0.42) HRH1TACR2KCNH2SSTR5TACR1
SCHEMBL7495454 0.93 HRH1 (0.47) HRH1TACR2KCNH2
SCHEMBL7494148 0.93 KCNH2 (0.47) TACR2KCNH2SSTR5
SCHEMBL7492400 0.93 HRH1 (0.44) HRH1TACR2KCNH2SSTR5
SCHEMBL7501522 0.93 HRH1 (0.43) HRH1TACR2KCNH2SSTR5TACR1

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