SCHEMBL7356197

SCHEMBL7356197

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.37
ITGA2B P08514 4/20 0.37
HDAC1 Q13547 6/20 0.36
HDAC6 Q9UBN7 4/20 0.36
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
PRKCA P17252 2/20 0.31
PRKCG P05129 1/20 0.30
PRKCB P05771 1/20 0.30
PRKCE Q02156 1/20 0.30
PRKCD Q05655 1/20 0.30
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 1/20 0.30

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
SCHEMBL7359377 0.97 HDAC1 (0.37) ITGB3ITGA2BHDAC1HDAC6HDAC3
SCHEMBL7356371 0.86 ITGB3 (0.49) ITGB3ITGA2BHDAC1HDAC6HDAC3
SCHEMBL7356192 0.84 ITGB3 (0.38) ITGB3ITGA2BHDAC1HDAC6HDAC3
SCHEMBL7354764 0.84 ITGB3 (0.49) ITGB3ITGA2BHDAC1HDAC6HDAC3
SCHEMBL7356133 0.82 ITGB3 (0.42) ITGB3ITGA2B
SCHEMBL7363304 0.82 LTB4R (0.32) HDAC1HDAC4
SCHEMBL7359373 0.82 ITGB3 (0.38) ITGB3ITGA2BHDAC1HDAC6HDAC3
SCHEMBL7358618 0.80 MAPK1 (0.36) ITGB3ITGA2B
SCHEMBL7360095 0.75 ITGB3 (0.51) ITGB3ITGA2BHDAC1HDAC6HDAC3
SCHEMBL7362455 0.73 ITGB3 (0.40) ITGB3ITGA2BHDAC1HDAC6HDAC3

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