SCHEMBL16499512

SCHEMBL16499512

CCOc1cc(Cl)cc(Cl)c1C1=NC(NC(=O)c2cc(F)cnc2OCc2ccncn2)C(=O)Nc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 14/20 0.47
▸ CCKAR P32238 8/20 0.45
▸ CBLB Q13191 1/20 0.40

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
SCHEMBL16498202 0.93 CCKBR (0.49) CCKBRCCKAR
SCHEMBL16498439 0.92 CCKBR (0.48) CCKBRCCKAR
SCHEMBL16498166 0.92 CCKBR (0.48) CCKBRCCKAR
SCHEMBL16498583 0.92 CCKBR (0.48) CCKBRCCKAR
SCHEMBL16498280 0.90 CCKBR (0.49) CCKBRCCKAR
SCHEMBL16498337 0.90 CCKBR (0.49) CCKBRCCKAR
SCHEMBL16498399 0.90 CCKBR (0.49) CCKBRCCKAR
SCHEMBL16498178 0.90 CCKBR (0.48) CCKBRCCKAR
SCHEMBL16498404 0.89 CCKBR (0.47) CCKBRCCKAR
SCHEMBL16499252 0.89 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
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