SCHEMBL7357967

SCHEMBL7357967

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

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.49
ITGA2B P08514 16/20 0.49
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
CHEK2 O96017 1/20 0.36
ITGAV P06756 1/20 0.35
CHRM2 P08172 1/20 0.35
SLC6A4 P31645 1/20 0.35

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
SCHEMBL7362418 0.88 ITGB3 (0.47) ITGB3ITGA2BADORA3ADORA2AADORA2B
SCHEMBL7358255 0.86 ITGB3 (0.45) ITGB3ITGA2BDHODHCHEK2ITGAV
SCHEMBL7354072 0.85 ITGB3 (0.44) ITGB3ITGA2BDHODHCHEK2
SCHEMBL7363759 0.84 ITGB3 (0.54) ITGB3ITGA2BADORA3ADORA2AADORA2B
SCHEMBL7357962 0.83 ITGB3 (0.47) ITGB3ITGA2BADORA3ADORA2AADORA2B
SCHEMBL7357974 0.82 ITGB3 (0.50) ITGB3ITGA2BADORA3ADORA2AADORA2B
SCHEMBL7353724 0.82 ITGB3 (0.41) ITGB3ITGA2BDHODHSLC6A4
SCHEMBL7359699 0.82 ITGB3 (0.45) ITGB3ITGA2BADORA3ADORA2AADORA2B
SCHEMBL7356563 0.76 ITGB3 (0.38) ITGB3ITGA2B
SCHEMBL7359468 0.74 ITGB3 (0.51) 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 6 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-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
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed