SCHEMBL7501591

SCHEMBL7501591

CCOCCn1c(C2CCN(N)CC2)nc2ccccc21

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 9/20 0.77
KCNH2 Q12809 3/20 0.71
KDM4E B2RXH2 1/20 0.54
CHRM1 P11229 1/20 0.53
PDE10A Q9Y233 1/20 0.53

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
SCHEMBL14198337 0.90 HRH1 (0.80) HRH1KCNH2KDM4ECHRM1PDE10A
SCHEMBL19770379 0.89 HRH1 (0.95) HRH1KCNH2
SCHEMBL17898450 0.87 HRH1 (1.00) HRH1KCNH2CHRM1
SCHEMBL17895346 0.87 HRH1 (0.87) HRH1KCNH2
SCHEMBL19770377 0.86 HRH1 (0.85) HRH1KCNH2
SCHEMBL991263 0.86 HRH1 (0.73) HRH1KCNH2KDM4ECHRM1PDE10A
SCHEMBL19770376 0.85 HRH1 (0.91) HRH1KCNH2
SCHEMBL17888843 0.85 HRH1 (1.00) HRH1KCNH2
SCHEMBL17888850 0.85 HRH1 (1.00) HRH1KCNH2
SCHEMBL30306737 0.85 HRH1 (0.83) HRH1KCNH2PDE10A

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