SCHEMBL7362987

SCHEMBL7362987

CCCC(=O)Nc1cccc(CN2C(=O)CN(CCC(=O)O)C(=O)c3cc(CCCCCNC(=N)N)ccc32)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ITGB3 P05106 4/20 0.38
ITGA2B P08514 4/20 0.38
GHSR Q92847 1/20 0.33
LMNA P02545 1/20 0.33
GFER P55789 1/20 0.33
LIPG Q9Y5X9 2/20 0.33
ITGA2 P17301 1/20 0.32
MMP7 P09237 1/20 0.32
MMP10 P09238 1/20 0.32
S1PR1 P21453 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL7364304 0.95 ITGB3 (0.38) HPGDITGB3ITGA2BLMNALIPG
SCHEMBL7358851 0.90 ITGB3 (0.39) KDM4EITGB3ITGA2BLIPG
SCHEMBL7357668 0.90 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10ITGB3
SCHEMBL7358065 0.85 ITGB3 (0.37) HPGDITGB3ITGA2BLMNAGFER
Trifluoroacetic Acid SCHEMBL7362872 0.82 ITGB3 (0.43) ITGB3ITGA2BLMNAITGA2MMP7
Trifluoroacetic Acid SCHEMBL7357517 0.81 ITGB3 (0.44) HPGDITGB3ITGA2BITGA2MMP7
Trifluoroacetic Acid SCHEMBL7364005 0.81 ITGB3 (0.44) HPGDITGB3ITGA2BITGA2MMP7
SCHEMBL7356598 0.81 ITGB3 (0.36) KDM4EALDH1A1HPGDITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7326285 0.81 FDFT1 (0.36) ITGB3ITGA2BLIPG
Trifluoroacetic Acid SCHEMBL7324285 0.81 FDFT1 (0.36) ITGB3ITGA2BLIPG

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