SCHEMBL7326332

SCHEMBL7326332

CCOC(=O)CC(c1ccccc1)N1C(=O)c2cc(CCC(=O)NCC(N)C(=O)OC(C)(C)C)ccc2N(C)C(=O)C1c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
MDM2 Q00987 1/20 0.33
SLC6A9 P48067 1/20 0.32
NR1H2 P55055 1/20 0.32
SCN9A Q15858 1/20 0.31
RIPK1 Q13546 2/20 0.31

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
SCHEMBL7331853 0.92 NR1H2 (0.32) ITGB3ITGA2BF2F10NR1H2
SCHEMBL7327994 0.92 NR1H2 (0.31) ITGB3ITGA2BF2F10NR1H2
SCHEMBL7331594 0.92 NR1H2 (0.34) ITGB3ITGA2BF2F10MDM2
SCHEMBL7324131 0.92 HDAC3 (0.34) ITGB3ITGA2BF2F10MDM2
SCHEMBL9493733 0.89 PDCD1 (0.36) ITGB3ITGA2BF2F10MDM2
SCHEMBL7333202 0.85 MDM2 (0.32) ITGB3ITGA2BF2F10MDM2
SCHEMBL7324454 0.85 NR1H2 (0.33) NR1H2
SCHEMBL7325806 0.85 MEN1 (0.34) ITGB3ITGA2BF2F10SLC6A9
SCHEMBL7333356 0.84 NR1H2 (0.33) NR1H2
SCHEMBL7328247 0.84 HDAC3 (0.35) ITGB3ITGA2BMDM2SLC6A9NR1H2

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 6 patents. 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
US-5565449-A PLATELET AGGREGATION INHIBITORS GENENTECH, INC. (US) 1996-10-15 US disclosed
EP-0610334-B1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII B III A RECEPTOR GENENTECH INC (US) 1996-01-24 EP disclosed
US-5403836-A Anticoagulants GENENTECH, INC. (US) 1995-04-04 US disclosed
EP-0610334-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. GENENTECH INC (US) 1994-08-17 EP disclosed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed