SCHEMBL7489985

SCHEMBL7489985

CCOCCn1c(NC2CCN(CCC(CN(C)C(=O)c3cc(OC)c(OC)c(OC)c3)c3cccnc3)CC2)nc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 11/20 0.43
KCNH2 Q12809 4/20 0.43
TACR2 P21452 2/20 0.40
SSTR5 P35346 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 1/20 0.37

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 0.94 HRH1 (0.47) HRH1KCNH2TACR2SSTR5
SCHEMBL7492400 0.93 HRH1 (0.44) HRH1KCNH2TACR2SSTR5
SCHEMBL7501544 0.91 TACR2 (0.46) HRH1KCNH2TACR2
SCHEMBL7495065 0.91 KCNH2 (0.46) HRH1KCNH2TACR2SSTR5CYP1A2
SCHEMBL7495454 0.91 HRH1 (0.47) HRH1KCNH2TACR2
SCHEMBL7495286 0.91 KCNH2 (0.51) HRH1KCNH2TACR2SSTR5CYP1A2
SCHEMBL7497618 0.90 HRH1 (0.45) HRH1KCNH2TACR2SSTR5
SCHEMBL7502500 0.90 HRH1 (0.45) HRH1KCNH2TACR2SSTR5
SCHEMBL7493089 0.90 SSTR5 (0.47) HRH1KCNH2TACR2SSTR5CYP1A2
SCHEMBL7494080 0.90 KCNH2 (0.45) HRH1KCNH2TACR2SSTR5

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