SCHEMBL12833045

SCHEMBL12833045

O=C(NC1N=C(c2c(Cl)cc(Cl)cc2Cl)c2ccccc2NC1=O)c1cc(Cl)ccc1OCCOCCI

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 12/20 0.52
▸ CCKAR P32238 5/20 0.50

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
SCHEMBL1506036 0.93 CCKBR (0.53) CCKBRCCKAR
SCHEMBL1505998 0.92 CCKBR (0.52) CCKBRCCKAR
SCHEMBL1506039 0.91 CCKBR (0.53) CCKBRCCKAR
SCHEMBL1505843 0.90 CCKBR (0.51) CCKBRCCKAR
SCHEMBL1506048 0.90 CCKBR (0.55) CCKBRCCKAR
SCHEMBL6518684 0.90 CCKBR (0.55) CCKBRCCKAR
SCHEMBL1506136 0.90 CCKBR (0.55) CCKBRCCKAR
SCHEMBL1505943 0.90 CCKBR (0.57) CCKBRCCKAR
SCHEMBL1505298 0.90 CCKBR (0.50) CCKBRCCKAR
SCHEMBL1505870 0.90 CCKBR (0.50) 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
Send feedback