SCHEMBL8842971

SCHEMBL8842971

CCOC(=O)CC(C)N1C(=O)c2cc(C#CSCCNC(=O)OC(C)(C)C)ccc2N(C)C(=O)C1c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 3/20 0.33
SCN9A Q15858 3/20 0.31
CCKBR P32239 2/20 0.31
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
CCKAR P32238 1/20 0.31
RIPK1 Q13546 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRA4 P48169 1/20 0.30
GABRA6 Q16445 1/20 0.30
DRD2 P14416 1/20 0.30

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
SCHEMBL9264467 0.89 MDM2 (0.34) MDM2SCN9ACCKBRPDCD1CD274
SCHEMBL7321486 0.88 HDAC1 (0.38) MDM2DRD2
SCHEMBL7328784 0.86 MDM2 (0.34) MDM2SCN9ACCKBRCCKARRIPK1
SCHEMBL8842761 0.85 PDCD1 (0.31) MDM2PDCD1CD274
SCHEMBL7326347 0.83 TPSAB1 (0.37) SCN9ACCKBRPDCD1CD274DRD2
SCHEMBL9493013 0.82 PDCD1 (0.37) MDM2SCN9ACCKBRPDCD1CD274
SCHEMBL9262540 0.82 SCN9A (0.34) MDM2SCN9ACCKBRPDCD1CD274
SCHEMBL7326230 0.81 HDAC1 (0.37) MDM2SCN9A
SCHEMBL7329948 0.81 MDM2 (0.33) MDM2SCN9AGABRA1GABRG2GABRB3
SCHEMBL7330839 0.81 ADORA3 (0.34) MDM2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5663166-A ANTICOAGULANTS OF 1,4-BENZODIAZEPINE-2,5-DIONE AND 2-BENZOAZEPINE-1,4-DIONE DERIVATIVES; PREVENTS FIBRINOGEN BINDING NECESSARY FOR PLATELET AGGREGATION; SIDE EFFECT REDUCTION, E.G. EXCESSIVE BLEEDING GENENTECH, INC. (US) 1997-09-02 US disclosed