SCHEMBL7329988

SCHEMBL7329988

CCOC(=O)CC(c1ccccc1)N1CC(=O)N(Cc2ccccc2)c2ccc(C#CCCCNC(=O)OC(C)(C)C)cc2C1=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.36
UTS2R Q9UKP6 2/20 0.34
CNR1 P21554 1/20 0.34
DRD2 P14416 1/20 0.34
ITGB3 P05106 2/20 0.33
ITGA2B P08514 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
BRD4 O60885 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 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
SCHEMBL7326612 0.93 ITGB3 (0.38) ADORA3CNR1DRD2ITGB3ITGA2B
SCHEMBL7333049 0.91 ITGB3 (0.40) ADORA3UTS2RCNR1DRD2ITGB3
SCHEMBL7326692 0.90 ADORA3 (0.36) ADORA3UTS2RCNR1DRD2ITGB3
SCHEMBL7334551 0.90 UTS2R (0.37) ADORA3UTS2RCNR1DRD2ITGB3
SCHEMBL7332708 0.87 MAPT (0.38) ITGB3ITGA2BMEN1POLBKMT2A
SCHEMBL7331886 0.87 ITGB3 (0.33) UTS2RITGB3ITGA2BMEN1KMT2A
SCHEMBL7326950 0.87 NPSR1 (0.37) UTS2RDRD2ITGB3ITGA2BSIGMAR1
SCHEMBL7322301 0.85 MDM2 (0.36) ADORA3UTS2RCNR1BRD4
SCHEMBL7323775 0.84 MEN1 (0.35) MEN1POLBKMT2A
SCHEMBL7330042 0.84 ITGB3 (0.34) ITGB3ITGA2BMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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