SCHEMBL7494658

SCHEMBL7494658

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

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 19/20 0.53
HRH1 P35367 1/20 0.49
TACR1 P25103 1/20 0.48
TACR3 P29371 1/20 0.48

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
SCHEMBL7492669 0.96 TACR2 (0.51) TACR2
SCHEMBL7502500 0.94 HRH1 (0.45) TACR2HRH1TACR1TACR3
SCHEMBL7547633 0.94 TACR2 (0.49) TACR2
SCHEMBL7492659 0.93 TACR2 (0.52) TACR2
SCHEMBL7495454 0.93 HRH1 (0.47) TACR2HRH1
SCHEMBL7496225 0.93 TACR2 (0.52) TACR2
SCHEMBL7497618 0.93 HRH1 (0.45) TACR2HRH1
SCHEMBL7499627 0.93 HRH1 (0.47) TACR2HRH1
SCHEMBL7502600 0.92 TACR2 (0.51) TACR2TACR1TACR3
SCHEMBL7495057 0.92 HRH1 (0.44) TACR2HRH1

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