SCHEMBL7359377

SCHEMBL7359377

CC(CN1CC(=O)N(C(c2ccccc2)c2ccccc2)c2ccc(C#CCCCCN)cc2C1=O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.37
HDAC6 Q9UBN7 4/20 0.37
ITGB3 P05106 4/20 0.37
ITGA2B P08514 4/20 0.37
PRKCA P17252 2/20 0.33
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
PRKCG P05129 1/20 0.32
PRKCB P05771 1/20 0.32
PRKCE Q02156 1/20 0.32
PRKCD Q05655 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
SCHEMBL7356197 0.97 ITGB3 (0.37) HDAC1HDAC6ITGB3ITGA2BPRKCA
SCHEMBL7354764 0.87 ITGB3 (0.49) HDAC1HDAC6ITGB3ITGA2BPRKCA
SCHEMBL7359373 0.84 ITGB3 (0.38) HDAC1HDAC6ITGB3ITGA2BPRKCA
SCHEMBL7356371 0.84 ITGB3 (0.49) HDAC1HDAC6ITGB3ITGA2BPRKCA
SCHEMBL7356133 0.83 ITGB3 (0.42) ITGB3ITGA2B
SCHEMBL7363304 0.83 LTB4R (0.32) HDAC1HDAC4
SCHEMBL7356192 0.82 ITGB3 (0.38) HDAC1HDAC6ITGB3ITGA2BPRKCA
SCHEMBL7358618 0.79 MAPK1 (0.36) ITGB3ITGA2B
SCHEMBL7360095 0.75 ITGB3 (0.51) HDAC1HDAC6ITGB3ITGA2BHDAC3
SCHEMBL7362455 0.72 ITGB3 (0.40) HDAC1HDAC6ITGB3ITGA2BHDAC3

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
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-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
EP-0610334-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. GENENTECH INC (US) 1994-08-17 EP disclosed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed