SCHEMBL7498261

SCHEMBL7498261

CCOCCn1c(NC2CCN(CCC(CN(C)C(=O)c3cc(OC(F)(F)F)ccc3OC)c3ccc(Cl)c(Cl)c3)CC2)nc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 19/20 0.46
TACR1 P25103 2/20 0.46
TACR3 P29371 2/20 0.46
KCNH2 Q12809 1/20 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
SCHEMBL7503255 0.96 TACR2 (0.48) TACR2TACR1TACR3KCNH2
SCHEMBL7501597 0.91 TACR2 (0.46) TACR2TACR1TACR3KCNH2
SCHEMBL7493058 0.91 TACR2 (0.47) TACR2TACR1TACR3KCNH2
SCHEMBL7496542 0.90 TACR2 (0.51) TACR2TACR1TACR3KCNH2
SCHEMBL7469623 0.89 HRH1 (0.50) TACR2TACR1TACR3
SCHEMBL7545542 0.89 KCNH2 (0.49) TACR2TACR1TACR3KCNH2
SCHEMBL7501882 0.88 TACR2 (0.48) TACR2TACR1TACR3KCNH2
SCHEMBL7494236 0.88 KCNH2 (0.46) TACR2TACR1TACR3KCNH2
SCHEMBL7491226 0.87 TACR2 (0.47) TACR2TACR1TACR3KCNH2
SCHEMBL7502489 0.87 TACR2 (0.47) TACR2TACR1TACR3KCNH2

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