SCHEMBL9531396

SCHEMBL9531396

O=C(NC1N=C(c2ccccc2F)c2ccccc2NC1=O)c1ccc2ccccc2c1

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 15/20 0.78
CCKAR P32238 12/20 0.78

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
SCHEMBL9531414 1.00 CCKBR (0.78) CCKBRCCKAR
SCHEMBL9525122 0.88 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9525110 0.88 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9526643 0.87 CCKBR (1.00) CCKBRCCKAR
SCHEMBL7593098 0.87 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9533896 0.86 CCKBR (0.72) CCKBRCCKAR
SCHEMBL9533885 0.86 CCKBR (0.72) CCKBRCCKAR
SCHEMBL9526104 0.85 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9525304 0.85 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9526115 0.85 CCKBR (1.00) 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
EP-0539591-A1 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-05-05 EP disclosed
WO-1992001683-A1 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-02-06 WO disclosed