SCHEMBL7325324

SCHEMBL7325324

N=C(N)c1ccc(COc2ccc3c(c2)C(=O)N(CCC(=O)OC(=O)C(F)(F)F)CCC3)cc1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.60
ITGA2B P08514 19/20 0.60
NPC1 O15118 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
RAB9A P51151 1/20 0.41

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 SCHEMBL7325316 0.89 ITGB3 (0.70) ITGB3ITGA2BRXRARXRBRXRG
SCHEMBL7326940 0.82 ITGB3 (0.52) ITGB3ITGA2B
SCHEMBL7324064 0.81 ITGB3 (0.48) ITGB3ITGA2B
SCHEMBL7322398 0.80 ITGB3 (0.47) ITGB3ITGA2B
SCHEMBL7323184 0.79 ITGB3 (0.47) ITGB3ITGA2B
SCHEMBL7363297 0.79 ITGB3 (0.45) ITGB3ITGA2B
SCHEMBL7355156 0.78 ITGB3 (0.46) ITGB3ITGA2B
SCHEMBL7325550 0.78 ITGB3 (0.46) ITGB3ITGA2B
SCHEMBL7330285 0.73 MAOB (0.57) ITGB3ITGA2BNPC1RXRARXRB
SCHEMBL7324478 0.72 ITGB3 (0.32) 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 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