SCHEMBL7327044

SCHEMBL7327044

CN1C(=O)CN(CCC(=O)OCc2ccccc2)C(=O)c2cc(C#CCCCNC(=O)OC(C)(C)C)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
HDAC1 Q13547 6/20 0.42
HDAC6 Q9UBN7 4/20 0.42
SIGMAR1 Q99720 2/20 0.39
TPSAB1 Q15661 3/20 0.37
TPSD1 Q9BZJ3 3/20 0.37
TPSG1 Q9NRR2 3/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
CNR1 P21554 1/20 0.36
DRD2 P14416 5/20 0.35
GABRA1 P14867 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
SCHEMBL7318850 0.90 ITGB3 (0.45) ITGB3ITGA2BHDAC1HDAC6TPSAB1
SCHEMBL7329405 0.88 ITGB3 (0.44) ITGB3ITGA2BHDAC1HDAC6TPSAB1
SCHEMBL7332884 0.86 HDAC1 (0.40) ITGB3ITGA2BHDAC1HDAC6HDAC3
SCHEMBL7330617 0.85 SIGMAR1 (0.42) SIGMAR1TPSAB1TPSD1TPSG1DRD2
SCHEMBL7330156 0.85 CNR1 (0.37) ITGB3ITGA2BHDAC1HDAC6SIGMAR1
SCHEMBL9318037 0.82 ITGB3 (0.44) ITGB3ITGA2BHDAC1HDAC6SIGMAR1
SCHEMBL7322934 0.80 CNR1 (0.41) ITGB3ITGA2BHDAC1HDAC6TPSAB1
SCHEMBL7333715 0.80 POLB (0.37) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL7330736 0.79 CNR1 (0.36) ITGB3ITGA2BHDAC1HDAC6TPSAB1
SCHEMBL7332339 0.79 POLB (0.36) TPSAB1TPSD1TPSG1CNR1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0610334-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. GENENTECH INC (US) 1994-08-17 EP 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