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SCHEMBL8585545

SCHEMBL8585545

CCOC(=O)CN1C(=O)C(NC(=O)OC(C)(C)C)N=C(c2ccccc2)c2ccccc21

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 9/20 0.71
▸ CCKAR P32238 6/20 0.71
▸ SCN9A Q15858 4/20 0.57
▸ SENP1 Q9P0U3 1/20 0.55
▸ BRD4 O60885 2/20 0.53
▸ BRD2 P25440 2/20 0.53
▸ BRD3 Q15059 2/20 0.53

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
SCHEMBL8585550 1.00 CCKBR (0.71) CCKBRCCKARSCN9ASENP1BRD4
SCHEMBL8667933 0.90 CCKBR (0.62) CCKBRCCKARSCN9ASENP1
SCHEMBL8537020 0.89 CCKBR (0.72) CCKBRCCKARSCN9A
SCHEMBL8537024 0.89 CCKBR (0.72) CCKBRCCKARSCN9A
SCHEMBL8939498 0.87 SENP1 (0.73) CCKBRCCKARSCN9ASENP1BRD4
SCHEMBL9865538 0.87 SENP1 (0.73) CCKBRCCKARSCN9ASENP1BRD4
SCHEMBL9866216 0.81 CCKBR (0.76) CCKBRCCKAR
SCHEMBL9866172 0.81 CCKBR (1.00) CCKBRCCKAR
SCHEMBL8773990 0.80 CCKBR (0.82) CCKBRCCKAR
SCHEMBL8533593 0.80 CCKBR (0.82) 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 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