SCHEMBL9293100

SCHEMBL9293100

CN1CCN2C(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)N=C(c3ccccc3F)c3cccc1c32

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 4/20 0.75
CCKBR P32239 4/20 0.75
SCN9A Q15858 16/20 0.63

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
SCHEMBL9292830 1.00 CCKAR (0.75) CCKARCCKBRSCN9A
SCHEMBL9122887 0.89 CCKBR (0.71) CCKARCCKBRSCN9A
SCHEMBL9124084 0.89 CCKBR (0.71) CCKARCCKBRSCN9A
SCHEMBL9868387 0.86 CCKBR (1.00) CCKARCCKBRSCN9A
SCHEMBL9866835 0.86 CCKBR (1.00) CCKARCCKBRSCN9A
SCHEMBL9292409 0.84 CCKBR (0.58) CCKARCCKBRSCN9A
SCHEMBL9292874 0.84 CCKBR (0.58) CCKARCCKBRSCN9A
SCHEMBL9121125 0.82 SCN9A (0.69) CCKARCCKBRSCN9A
SCHEMBL9122014 0.82 SCN9A (0.69) CCKARCCKBRSCN9A
SCHEMBL8746581 0.81 CCKBR (0.80) CCKARCCKBRSCN9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5322842-A Tricyclic benzodiazepine derivates, their preparation, and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-06-21 US disclosed
EP-0544909-A1 TRICYCLIC BENZODIAZEPINE DERIVATES THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-06-09 EP disclosed
WO-1992003438-A1 TRICYCLIC BENZODIAZEPINE DERIVATES THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-03-05 WO disclosed