SCHEMBL12833050

SCHEMBL12833050

O=C(N[C@H]1N=C(c2c(Cl)cc(Cl)cc2Cl)c2ccccc2NC1=O)c1cc(F)ccc1OCCO

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 17/20 0.57
▸ CCKAR P32238 10/20 0.53

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
SCHEMBL6519450 0.93 CCKBR (0.56) CCKBRCCKAR
SCHEMBL1505901 0.93 CCKBR (0.56) CCKBRCCKAR
SCHEMBL6519843 0.93 CCKBR (0.56) CCKBRCCKAR
SCHEMBL6521829 0.88 CCKBR (0.53) CCKBRCCKAR
SCHEMBL16498244 0.88 CCKBR (0.55) CCKBRCCKAR
SCHEMBL12833062 0.88 CCKBR (0.59) CCKBRCCKAR
SCHEMBL1506005 0.88 CCKBR (0.56) CCKBRCCKAR
SCHEMBL16498256 0.87 CCKBR (0.54) CCKBRCCKAR
SCHEMBL1506007 0.87 CCKBR (0.52) CCKBRCCKAR
SCHEMBL1506003 0.87 CCKBR (0.52) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011027156-A1 BENZODIAZEPINE DERIVATIVES FOR TREATING HEPATITIS C INFECTION ARROW THERAPEUTICS LIMITED (GB) 2011-03-10 — — WO disclosed
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