SCHEMBL7324064

SCHEMBL7324064

NCCCCCCCCOc1ccc2c(c1)C(=O)N(CCC(=O)OC(=O)C(F)(F)F)CCC2

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.48
ITGA2B P08514 5/20 0.48
AOC3 Q16853 2/20 0.42
PDK2 Q15119 2/20 0.39
HRH3 Q9Y5N1 1/20 0.38
DRD2 P14416 1/20 0.38

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
Trifluoroacetic Acid SCHEMBL7324057 0.88 ITGB3 (0.54) ITGB3ITGA2BPDK2
SCHEMBL7322180 0.85 ITGB3 (0.59) ITGB3ITGA2BHRH3
SCHEMBL7331134 0.83 DRD3 (0.34) ITGB3ITGA2BAOC3DRD2
SCHEMBL7325324 0.81 ITGB3 (0.60) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7328717 0.76 ITGB3 (0.46) ITGB3ITGA2B
SCHEMBL7324478 0.73 ITGB3 (0.32) ITGB3ITGA2BAOC3
SCHEMBL1882840 0.71 HRH3 (0.52) HRH3
SCHEMBL7331178 0.71 KCNH2 (0.49) ITGB3ITGA2BAOC3PDK2HRH3
SCHEMBL7323417 0.71 AOC3 (0.51) AOC3DRD2
Trifluoroacetic Acid SCHEMBL7331130 0.69 ITGB3 (0.39) 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 8 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-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