SCHEMBL7363759

SCHEMBL7363759

CN1C(=O)CN(CCC(=O)O)C(=O)c2cc(OCCC3CCNCC3)ccc21

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.54
ITGA2B P08514 17/20 0.54
ITGA2 P17301 3/20 0.45
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
DHODH Q02127 1/20 0.38

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
SCHEMBL7359468 0.90 ITGB3 (0.51) ITGB3ITGA2BITGA2
SCHEMBL7361348 0.88 ITGB3 (0.50) ITGB3ITGA2BITGA2DHODH
SCHEMBL7361354 0.87 ITGB3 (0.49) ITGB3ITGA2BITGA2
SCHEMBL7357974 0.87 ITGB3 (0.50) ITGB3ITGA2BADORA3ADORA2AADORA2B
SCHEMBL7363735 0.86 ITGB3 (0.49) ITGB3ITGA2BITGA2
SCHEMBL7358023 0.85 ITGB3 (0.49) ITGB3ITGA2BITGA2
SCHEMBL7357967 0.84 ITGB3 (0.49) ITGB3ITGA2BADORA3ADORA2AADORA2B
SCHEMBL7359699 0.83 ITGB3 (0.45) ITGB3ITGA2BADORA3ADORA2AADORA2B
SCHEMBL7359640 0.82 ITGB3 (0.46) ITGB3ITGA2BITGA2
SCHEMBL7361111 0.82 ITGB3 (0.46) 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