SCHEMBL9054895

SCHEMBL9054895

O=C(Nc1cccc(F)c1)N[C@@H]1N=C(c2ccccc2F)c2ccccc2N(CC(=O)N2CC3CCC(CC3)C2)C1=O

nearest known ligand 0.86

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 18/20 0.86
CCKAR P32238 1/20 0.54

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
SCHEMBL9054891 1.00 CCKBR (0.86) CCKBRCCKAR
SCHEMBL9058628 0.93 CCKBR (0.84) CCKBRCCKAR
SCHEMBL8775400 0.93 CCKBR (0.84) CCKBR
SCHEMBL9058629 0.93 CCKBR (0.84) CCKBRCCKAR
SCHEMBL9057664 0.93 CCKBR (0.84) CCKBR
SCHEMBL9054828 0.93 CCKBR (0.84) CCKBRCCKAR
SCHEMBL9054824 0.93 CCKBR (0.84) CCKBRCCKAR
SCHEMBL9054789 0.93 CCKBR (0.81) CCKBRCCKAR
SCHEMBL9054792 0.93 CCKBR (0.81) CCKBRCCKAR
SCHEMBL8774156 0.92 CCKBR (0.84) 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-1996004254-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO disclosed