SCHEMBL7356192

SCHEMBL7356192

CCC(C(=O)O)N1CC(=O)N(C(c2ccccc2)c2ccccc2)c2ccc(C#CCCCN)cc2C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.38
ITGA2B P08514 5/20 0.38
HDAC1 Q13547 6/20 0.37
HDAC6 Q9UBN7 4/20 0.37
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
ALOX15 P16050 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SDCBP O00560 1/20 0.31
SDC2 P34741 1/20 0.31
PRKCG P05129 1/20 0.31

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
SCHEMBL7359373 0.97 ITGB3 (0.38) ITGB3ITGA2BHDAC1HDAC6HDAC3
SCHEMBL7362455 0.88 ITGB3 (0.40) ITGB3ITGA2BHDAC1HDAC6HDAC3
SCHEMBL7356197 0.84 ITGB3 (0.37) ITGB3ITGA2BHDAC1HDAC6HDAC3
SCHEMBL7356371 0.82 ITGB3 (0.49) ITGB3ITGA2BHDAC1HDAC6HDAC3
SCHEMBL7356126 0.82 ITGB3 (0.39) ITGB3ITGA2B
SCHEMBL7363301 0.82 ALOX15 (0.36) ITGB3ITGA2BALOX15KDM4EMAPT
SCHEMBL7359377 0.82 HDAC1 (0.37) ITGB3ITGA2BHDAC1HDAC6HDAC3
SCHEMBL7354764 0.80 ITGB3 (0.49) ITGB3ITGA2BHDAC1HDAC6HDAC3
SCHEMBL7358610 0.80 PLA2G4A (0.35) ITGB3ITGA2BALOX15KDM4EMAPT
SCHEMBL7331444 0.75 ITGB3 (0.39) ITGB3ITGA2BHDAC1HDAC6

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 6 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
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO claimed
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
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed