SCHEMBL16498486

SCHEMBL16498486

COc1cc(Cl)cc(Cl)c1C1=NC(NC(=O)c2cc(F)ccc2OCc2ncccn2)C(=O)Nc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 11/20 0.51
CCKAR P32238 7/20 0.47

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
SCHEMBL16498118 0.94 CCKBR (0.51) CCKBRCCKAR
SCHEMBL16498423 0.93 CCKBR (0.51) CCKBRCCKAR
SCHEMBL16498214 0.91 CCKBR (0.50) CCKBRCCKAR
SCHEMBL6521829 0.90 CCKBR (0.53) CCKBRCCKAR
SCHEMBL16498605 0.89 CCKBR (0.48) CCKBRCCKAR
SCHEMBL16498244 0.89 CCKBR (0.55) CCKBRCCKAR
SCHEMBL16499162 0.88 CCKBR (0.50) CCKBRCCKAR
SCHEMBL6519843 0.85 CCKBR (0.56) CCKBRCCKAR
SCHEMBL6519450 0.85 CCKBR (0.56) CCKBRCCKAR
SCHEMBL1505901 0.85 CCKBR (0.56) CCKBRCCKAR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011151651-A1 BENZODIAZEPINE COMPOUNDS USEFUL FOR THE TREATMENT OF HEPATITIS C ARROW THERAPEUTICS LIMITED (GB) 2011-12-08 WO disclosed
WO-2011151651-A1 BENZODIAZEPINE COMPOUNDS USEFUL FOR THE TREATMENT OF HEPATITIS C ARROW THERAPEUTICS LIMITED (GB) 2011-12-08 WO disclosed