SCHEMBL8533338

SCHEMBL8533338

CC(=O)c1sccc1CN1C(=O)[C@@H](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 0.47

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
SCHEMBL8533335 1.00 CCKBR (0.51) CCKBRCCKARSCN9A
SCHEMBL7551337 0.85 SCN9A (0.39) CCKBRCCKARSCN9A
SCHEMBL7551339 0.85 SCN9A (0.39) CCKBRCCKARSCN9A
SCHEMBL8532880 0.83 BDKRB1 (0.44) CCKBRCCKAR
SCHEMBL8532877 0.83 BDKRB1 (0.44) CCKBRCCKAR
SCHEMBL8775025 0.82 CCKBR (0.51) CCKBRCCKARSCN9A
SCHEMBL8536062 0.82 CCKBR (0.53) CCKBRCCKARSCN9A
SCHEMBL8538456 0.82 CCKBR (0.51) CCKBRCCKARSCN9A
SCHEMBL8536066 0.82 CCKBR (0.53) CCKBRCCKARSCN9A
SCHEMBL8533160 0.82 CCKAR (0.60) 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
US-5763437-A Benzodiazepine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-09 US disclosed
WO-1996004254-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO disclosed