SCHEMBL7420712

SCHEMBL7420712

CC(C)CN1C(=O)CN(CCC(=O)O)C(=O)c2cc(NC(=O)c3ccc(C(=N)N)cc3)ccc21

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.64
ITGA2B P08514 17/20 0.64
ITGA2 P17301 2/20 0.45
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
RECQL P46063 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL7428653 0.88 ITGB3 (0.66) ITGB3ITGA2BITGA2ALDH1A1KDM4E
SCHEMBL7427864 0.88 ITGB3 (0.70) ITGB3ITGA2BITGA2ALDH1A1KDM4E
Acetic Acid SCHEMBL8837005 0.86 ITGB3 (0.68) ITGB3ITGA2BITGA2ALDH1A1KDM4E
SCHEMBL7423779 0.85 ITGB3 (0.62) ITGB3ITGA2BITGA2ALDH1A1KDM4E
SCHEMBL7363705 0.84 ITGB3 (0.59) ITGB3ITGA2BKDM4EF2F10
SCHEMBL7425883 0.83 ITGB3 (0.46) ITGB3ITGA2BITGA2ALDH1A1KDM4E
SCHEMBL7426008 0.82 ITGB3 (0.63) ITGB3ITGA2BITGA2KDM4EF2
SCHEMBL7421820 0.82 ITGB3 (0.59) ITGB3ITGA2BITGA2ALDH1A1KDM4E
SCHEMBL7362438 0.82 ITGB3 (0.59) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7332946 0.80 ITGB3 (0.70) ITGB3ITGA2BITGA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0610334-B1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII B III A RECEPTOR GENENTECH INC (US) 1996-01-24 EP claimed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO claimed
US-5674863-A BENZODIAZEPINEDIONE DERIVATIVE; FIBRINOGIN BINDING INHIBITOR GENENTECH, INC. (US) 1997-10-07 US disclosed
US-5674865-A BENZODIAZEPINEDIONE DERIVATIVE; FIBRINOGIN BINDING INHIBITOR GENENTECH, INC. (US) 1997-10-07 US disclosed
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