SCHEMBL7428653

SCHEMBL7428653

CC(C)N1C(=O)CN(CCC(=O)O)C(=O)c2cc(NC(=O)c3ccc(C(=N)N)cc3)ccc21

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.66
ITGA2B P08514 19/20 0.66
ITGA2 P17301 2/20 0.46
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL7427864 0.89 ITGB3 (0.70) ITGB3ITGA2BITGA2KDM4EALDH1A1
SCHEMBL7426008 0.89 ITGB3 (0.63) ITGB3ITGA2BITGA2KDM4E
SCHEMBL7420712 0.88 ITGB3 (0.64) ITGB3ITGA2BITGA2KDM4EALDH1A1
Acetic Acid SCHEMBL8837005 0.88 ITGB3 (0.68) ITGB3ITGA2BITGA2KDM4EALDH1A1
SCHEMBL7359393 0.84 ITGB3 (0.61) ITGB3ITGA2BKDM4E
SCHEMBL7427456 0.82 ITGB3 (0.47) ITGB3ITGA2BITGA2
SCHEMBL7423779 0.81 ITGB3 (0.62) ITGB3ITGA2BITGA2KDM4EALDH1A1
SCHEMBL7359635 0.81 ITGB3 (0.61) ITGB3ITGA2B
SCHEMBL8797709 0.80 ITGB3 (0.72) ITGB3ITGA2BITGA2KDM4EALDH1A1
Acetic Acid SCHEMBL7334578 0.80 ITGB3 (0.60) ITGB3ITGA2BITGA2KDM4EALDH1A1

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 8 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
EP-0610334-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. GENENTECH INC (US) 1994-08-17 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