SCHEMBL7359393

SCHEMBL7359393

CC(C)N1C(=O)CN(CCC(=O)O)C(=O)c2cc(C=Cc3ccc(C(=N)N)cc3)ccc21

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.61
ITGA2B P08514 18/20 0.61
KDM4E B2RXH2 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
PRMT5 O14744 1/20 0.34
PRMT1 Q99873 1/20 0.34

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
SCHEMBL7359659 0.90 ITGB3 (0.74) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL7359240 0.89 ITGB3 (0.56) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL7363705 0.88 ITGB3 (0.59) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL7428653 0.84 ITGB3 (0.66) ITGB3ITGA2BKDM4E
SCHEMBL7359635 0.82 ITGB3 (0.61) ITGB3ITGA2B
SCHEMBL7357207 0.82 ITGB3 (0.48) ITGB3ITGA2BPRMT5PRMT1
Trifluoroacetic Acid SCHEMBL7329680 0.81 ITGB3 (0.72) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL7363195 0.81 ITGB3 (0.55) ITGB3ITGA2B
SCHEMBL8992929 0.80 ITGB3 (0.54) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL8993058 0.79 ITGB3 (0.53) ITGB3ITGA2BKDM4EALOX15TSHR

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
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-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