SCHEMBL7322180

SCHEMBL7322180

NCCCCCCCCOc1ccc2c(c1)C(=O)N(CCC(=O)O)CCC2

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.59
ITGA2B P08514 11/20 0.59
ITGAV P06756 1/20 0.45
HRH3 Q9Y5N1 1/20 0.43

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
Trifluoroacetic Acid SCHEMBL7324057 0.94 ITGB3 (0.54) ITGB3ITGA2BITGAV
SCHEMBL7324064 0.85 ITGB3 (0.48) ITGB3ITGA2BHRH3
Trifluoroacetic Acid SCHEMBL7328717 0.82 ITGB3 (0.46) ITGB3ITGA2BITGAV
SCHEMBL8959420 0.77 KDM4E (0.47) ITGB3ITGA2BITGAV
Trifluoroacetic Acid SCHEMBL7331130 0.74 ITGB3 (0.39) ITGB3ITGA2BITGAV
Trifluoroacetic Acid SCHEMBL7325316 0.74 ITGB3 (0.70) ITGB3ITGA2B
SCHEMBL7365574 0.72 ITGB3 (0.46) ITGB3ITGA2BITGAV
SCHEMBL7323417 0.72 AOC3 (0.51)
SCHEMBL7360844 0.71 ITGB3 (0.45) ITGB3ITGA2BHRH3
SCHEMBL13254657 0.70 BRD4 (0.60) HRH3

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
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
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
US-5250679-A Nonpeptidyl platelet aggregation inhibitors having specificity for the GPIIb III.sub. receptor GENENTECH, INC. (US) 1993-10-05 US disclosed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed