SCHEMBL16498088

SCHEMBL16498088

COc1cc(Cl)cc(Cl)c1C1=NC(NC(=O)c2cc(F)cnc2OCc2cc(C)nn2C)C(=O)Nc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 14/20 0.46
▸ CCKAR P32238 8/20 0.44

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
SCHEMBL16498220 0.95 CCKBR (0.49) CCKBRCCKAR
SCHEMBL16498252 0.94 CCKBR (0.45) CCKBRCCKAR
SCHEMBL16498261 0.87 CCKBR (0.48) CCKBRCCKAR
SCHEMBL16499184 0.87 CCKBR (0.50) CCKBRCCKAR
SCHEMBL1506120 0.86 CCKBR (0.54) CCKBRCCKAR
SCHEMBL16498298 0.86 CCKBR (0.49) CCKBRCCKAR
SCHEMBL16499179 0.85 CCKBR (0.47) CCKBRCCKAR
SCHEMBL16499245 0.85 CCKBR (0.47) CCKBRCCKAR
SCHEMBL16498250 0.85 CCKBR (0.48) CCKBRCCKAR
SCHEMBL16499418 0.85 CCKBR (0.48) 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
Send feedback