SCHEMBL7325381

SCHEMBL7325381

CCOC(=O)CCN1CC(=O)N(C)c2ccc(I)cc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
CASP3 P42574 1/20 0.42
TNF P01375 3/20 0.40
ALDH1A1 P00352 2/20 0.37
GABRA1 P14867 6/20 0.36
GABRG2 P18507 6/20 0.36
GABRB3 P28472 6/20 0.36
GABRA5 P31644 6/20 0.36
GABRA3 P34903 6/20 0.36
GABRA2 P47869 6/20 0.36
GABRA6 Q16445 5/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
KAT2B Q92831 1/20 0.36
GABRB2 P47870 3/20 0.35
PIN1 Q13526 1/20 0.34
PIN4 Q9Y237 1/20 0.34
GABRA4 P48169 2/20 0.34
MEN1 O00255 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
SCHEMBL7332526 0.88 ITGB3 (0.46) ITGB3ITGA2BTNFALDH1A1GABRA1
SCHEMBL7327411 0.87 TNF (0.54) ITGB3ITGA2BTNFALDH1A1GABRA1
SCHEMBL7329841 0.86 ITGB3 (0.44) ITGB3ITGA2BCASP3ALDH1A1TSHR
SCHEMBL7332495 0.86 ALDH1A1 (0.40) ITGB3ITGA2BTNFALDH1A1MEN1
SCHEMBL7326762 0.84 AGTR1 (0.39) TNFALDH1A1GABRA1GABRG2GABRB3
SCHEMBL7333036 0.84 KDM4E (0.44) ITGB3ITGA2BTNFALDH1A1GABRA1
SCHEMBL7331430 0.83 PTPN1 (0.35) ITGB3ITGA2BTNFALDH1A1MEN1
SCHEMBL7329007 0.83 ALDH1A1 (0.37) TNFALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7324337 0.83 CASP1 (0.46) ITGB3ITGA2BCASP3ALDH1A1GABRA1
SCHEMBL7329871 0.82 GABRA1 (0.39) ITGB3ITGA2BTNFALDH1A1GABRA1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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