SCHEMBL8536728

SCHEMBL8536728

CC(=O)OCCN1C(=O)C(NC(=O)OC(C)(C)C)N=C(c2ccccc2F)c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 16/20 0.59
CCKAR P32238 15/20 0.59
SCN9A Q15858 2/20 0.52

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
SCHEMBL8536733 1.00 CCKBR (0.59) CCKBRCCKARSCN9A
SCHEMBL8533168 0.89 CCKAR (0.60) CCKBRCCKARSCN9A
SCHEMBL8533155 0.89 CCKAR (0.60) CCKBRCCKARSCN9A
SCHEMBL8533160 0.89 CCKAR (0.60) CCKBRCCKARSCN9A
SCHEMBL8533156 0.89 CCKAR (0.60) CCKBRCCKARSCN9A
SCHEMBL8534230 0.88 CCKBR (0.54) CCKBRCCKARSCN9A
SCHEMBL8746581 0.88 CCKBR (0.80) CCKBRCCKARSCN9A
SCHEMBL8746517 0.88 CCKBR (0.80) CCKBRCCKARSCN9A
SCHEMBL8537024 0.84 CCKBR (0.72) CCKBRCCKARSCN9A
SCHEMBL8537020 0.84 CCKBR (0.72) 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 3 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
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