SCHEMBL12833363

SCHEMBL12833363

O=C(NC1N=C(c2c(Cl)cc(Cl)cc2Cl)c2ccccc2NC1=O)c1cccnc1OCCO

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 17/20 0.59
▸ CCKAR P32238 11/20 0.52
▸ CBLB Q13191 1/20 0.47
▸ BDKRB1 P46663 1/20 0.46

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
SCHEMBL1506186 0.92 CCKBR (0.57) CCKBRCCKAR
SCHEMBL12833062 0.88 CCKBR (0.59) CCKBRCCKAR
SCHEMBL12833050 0.84 CCKBR (0.57) CCKBRCCKAR
SCHEMBL6518719 0.83 CCKBR (0.57) CCKBRCCKAR
SCHEMBL1505853 0.81 CCKBR (0.58) CCKBRCCKAR
SCHEMBL1505980 0.81 CCKBR (0.58) CCKBRCCKAR
SCHEMBL1505951 0.81 CCKBR (0.58) CCKBRCCKAR
SCHEMBL6521775 0.81 CCKBR (0.54) CCKBRCCKARBDKRB1
SCHEMBL1505952 0.81 CCKBR (0.58) CCKBRCCKAR
SCHEMBL16499180 0.80 CCKBR (0.55) 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