SCHEMBL7358065

SCHEMBL7358065

NCCCCCCc1ccc2c(c1)C(=O)N(CCC(=O)O)CC(=O)N2Cc1cccc(NC(=O)CCCN)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.37
ITGA2B P08514 3/20 0.37
TPSAB1 Q15661 1/20 0.37
TPSD1 Q9BZJ3 1/20 0.37
TPSG1 Q9NRR2 1/20 0.37
ITGA2 P17301 1/20 0.37
POLB P06746 2/20 0.36
MMP7 P09237 1/20 0.36
MMP10 P09238 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
BRD4 O60885 1/20 0.35
MMP13 P45452 2/20 0.35
GFER P55789 1/20 0.35
LMNA P02545 1/20 0.35
PARP1 P09874 1/20 0.35
CCKBR P32239 1/20 0.35
HDAC3 O15379 1/20 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
Trifluoroacetic Acid SCHEMBL7357517 0.96 ITGB3 (0.44) ITGB3ITGA2BTPSAB1TPSD1TPSG1
Trifluoroacetic Acid SCHEMBL7364005 0.96 ITGB3 (0.44) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL7357668 0.95 KDM4E (0.41) ITGB3ITGA2BTPSAB1TPSD1TPSG1
Trifluoroacetic Acid SCHEMBL7362872 0.93 ITGB3 (0.43) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL7359281 0.90 ITGB3 (0.40) ITGB3ITGA2BPOLBHPGDPARP1
SCHEMBL7356598 0.90 ITGB3 (0.36) ITGB3ITGA2BHPGDMMP13PARP1
SCHEMBL7364304 0.88 ITGB3 (0.38) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL7357523 0.88 MEN1 (0.35) ITGB3ITGA2BTPSAB1TPSD1TPSG1
Trifluoroacetic Acid SCHEMBL7354484 0.88 ITGB3 (0.46) ITGB3ITGA2BITGA2MMP7MMP10
SCHEMBL7357860 0.86 ITGB3 (0.47) ITGB3ITGA2BITGA2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0610334-B1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII B III A RECEPTOR GENENTECH INC (US) 1996-01-24 EP claimed
EP-0610334-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. GENENTECH INC (US) 1994-08-17 EP claimed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO claimed
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
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