SCHEMBL7324497

SCHEMBL7324497

CCOC(=O)CC(C)N1CC(=O)N(C(C)C)c2ccc(C#Cc3ccc([N+](=O)[O-])cc3)cc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.46
ITGA2B P08514 6/20 0.46
MAPT P10636 5/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 1/20 0.41
RARA P10276 2/20 0.40
RARB P10826 2/20 0.40
RARG P13631 2/20 0.40
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GABRA1 P14867 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA2 P47869 2/20 0.35
GABRB2 P47870 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
RAB9A P51151 2/20 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
SCHEMBL7331776 0.90 ITGB3 (0.57) ITGB3ITGA2BMAPTLMNAKDM4E
SCHEMBL7330741 0.90 MAPT (0.44) ITGB3ITGA2BMAPTLMNAKDM4E
SCHEMBL7321744 0.87 ITGB3 (0.46) ITGB3ITGA2BMAPTLMNAKDM4E
SCHEMBL7324841 0.85 ITGB3 (0.44) ITGB3ITGA2BMAPTLMNAKDM4E
SCHEMBL7322812 0.84 ITGB3 (0.44) ITGB3ITGA2BRARARARBRARG
SCHEMBL7329534 0.82 ITGB3 (0.42) ITGB3ITGA2BRARARARBRARG
SCHEMBL7325524 0.81 ITGB3 (0.38) ITGB3ITGA2BMAPTLMNAGABRA1
SCHEMBL7323400 0.80 CASP3 (0.38) MAPTLMNAKDM4ERARARARB
SCHEMBL7328698 0.79 ITGB3 (0.49) ITGB3ITGA2BMAPTLMNAKDM4E
SCHEMBL7325626 0.78 KDM4E (0.44) ITGB3ITGA2BMAPTLMNAKDM4E

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
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
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