SCHEMBL8773992

SCHEMBL8773992

COC(=O)c1cccnc1CN1C(=O)C(NC(=O)OC(C)(C)C)N=C(c2ccccc2F)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 17/20 0.51
CCKAR P32238 16/20 0.51
SCN9A Q15858 1/20 0.45

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
SCHEMBL8536095 1.00 CCKBR (0.51) CCKBRCCKARSCN9A
SCHEMBL8774104 0.93 CCKBR (0.53) CCKBRCCKARSCN9A
SCHEMBL8533465 0.93 CCKBR (0.53) CCKBRCCKARSCN9A
SCHEMBL8775025 0.93 CCKBR (0.51) CCKBRCCKARSCN9A
SCHEMBL8538456 0.93 CCKBR (0.51) CCKBRCCKARSCN9A
SCHEMBL8538355 0.92 CCKBR (0.51) CCKBRCCKARSCN9A
SCHEMBL8538354 0.92 CCKBR (0.51) CCKBRCCKARSCN9A
SCHEMBL8773986 0.89 CCKBR (0.48) CCKBRCCKARSCN9A
SCHEMBL9058647 0.87 CCKBR (0.49) CCKBRCCKARSCN9A
SCHEMBL9058649 0.87 CCKBR (0.46) CCKBRCCKARSCN9A

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-0804425-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-05 EP disclosed
WO-1996004254-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO disclosed