SCHEMBL7496291

SCHEMBL7496291

CCOCCn1c(NC2CCN(CCC(CN(C)C(=O)c3cc(C4C=NN=N4)ccc3OC)c3ccc(Cl)c(Cl)c3)CC2)nc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 20/20 0.45
TACR1 P25103 3/20 0.42
TACR3 P29371 3/20 0.42

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
SCHEMBL7503211 0.94 TACR2 (0.42) TACR2TACR1TACR3
SCHEMBL7494958 0.94 TACR2 (0.44) TACR2TACR1TACR3
SCHEMBL7499569 0.93 TACR2 (0.43) TACR2TACR1TACR3
SCHEMBL7494607 0.92 KCNH2 (0.40) TACR2TACR1
SCHEMBL7491872 0.91 TACR2 (0.44) TACR2TACR1TACR3
SCHEMBL7500764 0.91 TACR2 (0.44) TACR2TACR1TACR3
SCHEMBL7496633 0.91 TACR2 (0.43) TACR2TACR1TACR3
SCHEMBL7497198 0.90 TACR2 (0.47) TACR2TACR1TACR3
SCHEMBL8520359 0.90 TACR2 (0.46) TACR2TACR1TACR3
SCHEMBL7472253 0.90 HRH1 (0.50) TACR2

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