SCHEMBL8533764

SCHEMBL8533764

O=C(O)CN1C(=O)[C@@H](NC(=O)OCc2ccccc2)N=C(c2ccccc2F)c2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 14/20 0.66
CCKAR P32238 7/20 0.66
SENP1 Q9P0U3 3/20 0.64
BRD4 O60885 3/20 0.50
BRD2 P25440 3/20 0.50
BRD3 Q15059 3/20 0.50

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
SCHEMBL8533759 1.00 CCKBR (0.66) CCKBRCCKARSENP1BRD4BRD2
SCHEMBL8534744 0.92 CCKBR (0.62) CCKBRCCKARSENP1BRD4BRD2
SCHEMBL8534751 0.92 CCKBR (0.62) CCKBRCCKARSENP1BRD4BRD2
SCHEMBL8711263 0.89 SENP1 (0.79) CCKBRCCKARSENP1BRD4BRD2
SCHEMBL8711261 0.89 SENP1 (0.79) CCKBRCCKARSENP1BRD4BRD2
SCHEMBL8939417 0.89 SENP1 (0.79) CCKBRCCKARSENP1BRD4BRD2
SCHEMBL7549955 0.88 CCKBR (0.55) CCKBRCCKARSENP1BRD4BRD2
SCHEMBL7549960 0.88 CCKBR (0.55) CCKBRCCKARSENP1BRD4BRD2
SCHEMBL8533497 0.87 CCKBR (0.64) CCKBRCCKARSENP1
SCHEMBL10828856 0.87 CCKBR (0.67) 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 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