SCHEMBL7322230

SCHEMBL7322230

CC(CC(=O)OC(=O)C(F)(F)F)N1CC(=O)N(C)c2ccc(CCCCOc3cccnc3N)cc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.39
ITGA2B P08514 3/20 0.39
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRA6 Q16445 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
QPCT Q16769 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
SCHEMBL7326515 0.92 RXRA (0.32) ITGB3ITGA2B
SCHEMBL7332680 0.91 ITGB3 (0.34) ITGB3ITGA2BCYP3A4CYP2C9CYP2C19
Trifluoroacetic Acid SCHEMBL7322226 0.91 ITGB3 (0.46) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7327346 0.90 ITGB3 (0.32) ITGB3ITGA2B
SCHEMBL9009482 0.90 PTGDR2 (0.34) ITGB3ITGA2B
SCHEMBL7326061 0.86 ITGB3 (0.45) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7329192 0.85 ITGB3 (0.44) ITGB3ITGA2B
SCHEMBL7319156 0.84 MEN1 (0.33)
SCHEMBL8959416 0.83 MDM2 (0.32)
Trifluoroacetic Acid SCHEMBL7332678 0.83 MEN1 (0.38) ITGB3ITGA2BCYP3A4CYP2C9CYP2C19

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 5 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
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