SCHEMBL7357265

SCHEMBL7357265

CCCC(=O)N1CC(=O)N(C(C)CC)c2ccc(OCCC3CCNCC3)cc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.42
ITGA2B P08514 14/20 0.42
KDM1A O60341 1/20 0.35
KDM1B Q8NB78 1/20 0.35
ITGAV P06756 1/20 0.34
CHRM2 P08172 1/20 0.34
SLC6A4 P31645 1/20 0.34
ITGA2 P17301 1/20 0.34
P2RY12 Q9H244 1/20 0.33
CHEK2 O96017 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
DHODH Q02127 1/20 0.33

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
SCHEMBL7352648 0.93 ITGB3 (0.43) ITGB3ITGA2BKDM1AKDM1BITGAV
SCHEMBL7359699 0.87 ITGB3 (0.45) ITGB3ITGA2BKDM1AKDM1BITGAV
SCHEMBL7361354 0.85 ITGB3 (0.49) ITGB3ITGA2BITGA2
SCHEMBL7358255 0.84 ITGB3 (0.45) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7357407 0.82 ITGB3 (0.41) ITGB3ITGA2BKDM1AKDM1BITGAV
SCHEMBL7363184 0.79 ITGB3 (0.39) ITGB3ITGA2BKDM1AKDM1B
SCHEMBL7362416 0.78 ITGB3 (0.45) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7359468 0.77 ITGB3 (0.51) ITGB3ITGA2BITGA2
SCHEMBL7362418 0.76 ITGB3 (0.47) ITGB3ITGA2BCHEK2ADORA3ADORA2A
SCHEMBL7358863 0.74 ITGB3 (0.43) ITGB3ITGA2B

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 7 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
EP-0610334-B1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII B III A RECEPTOR GENENTECH INC (US) 1996-01-24 EP disclosed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed