SCHEMBL8534751

SCHEMBL8534751

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

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 12/20 0.62
SENP1 Q9P0U3 2/20 0.61
CCKAR P32238 9/20 0.61
BRD4 O60885 4/20 0.51
BRD2 P25440 4/20 0.51
BRD3 Q15059 4/20 0.51
PSEN1 P49768 1/20 0.49
PSEN2 P49810 1/20 0.49
APH1B Q8WW43 1/20 0.49
NCSTN Q92542 1/20 0.49
APH1A Q96BI3 1/20 0.49
PSENEN Q9NZ42 1/20 0.49
SCN9A Q15858 1/20 0.49

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
SCHEMBL8534744 1.00 CCKBR (0.62) CCKBRSENP1CCKARBRD4BRD2
SCHEMBL8533759 0.92 CCKBR (0.66) CCKBRSENP1CCKARBRD4BRD2
SCHEMBL8533764 0.92 CCKBR (0.66) CCKBRSENP1CCKARBRD4BRD2
SCHEMBL10828856 0.86 CCKBR (0.67) CCKBRCCKARSCN9A
SCHEMBL8533497 0.85 CCKBR (0.64) CCKBRSENP1CCKAR
SCHEMBL7552192 0.83 CCKBR (0.58) CCKBRSENP1CCKAR
SCHEMBL7552200 0.83 CCKBR (0.58) CCKBRSENP1CCKAR
SCHEMBL9865538 0.83 SENP1 (0.73) CCKBRSENP1CCKARBRD4BRD2
SCHEMBL8939498 0.83 SENP1 (0.73) CCKBRSENP1CCKARBRD4BRD2
SCHEMBL7549955 0.82 CCKBR (0.55) CCKBRSENP1CCKARBRD4BRD2

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