SCHEMBL7330502

SCHEMBL7330502

CC(CC(=O)OC(=O)C(F)(F)F)N1CC(=O)N(C(C)C)c2ccc(C#Cc3cccc(CN)c3)cc2C1=O

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.45
ITGA2B P08514 7/20 0.45
RARA P10276 2/20 0.34
RARB P10826 2/20 0.34
RARG P13631 2/20 0.34
PTGES O14684 1/20 0.31

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
SCHEMBL7331537 0.92 ITGB3 (0.42) ITGB3ITGA2BRARARARBRARG
SCHEMBL7330644 0.89 ITGB3 (0.45) ITGB3ITGA2BRARARARBRARG
SCHEMBL7319580 0.88 ITGB3 (0.45) ITGB3ITGA2BPTGES
SCHEMBL7335036 0.88 ITGB3 (0.45) ITGB3ITGA2BPTGES
SCHEMBL7331400 0.85 ITGB3 (0.42) ITGB3ITGA2BRARARARBRARG
SCHEMBL7319051 0.85 ITGB3 (0.42) ITGB3ITGA2BRARARARBRARG
SCHEMBL7336048 0.83 ITGB3 (0.41) ITGB3ITGA2B
SCHEMBL7323284 0.82 ITGB3 (0.48) ITGB3ITGA2BPTGES
SCHEMBL7328023 0.82 MDM2 (0.34) ITGB3ITGA2BPTGES
SCHEMBL7329767 0.82 ITGB3 (0.41) ITGB3ITGA2BRARARARBRARG

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
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
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