SCHEMBL7326692

SCHEMBL7326692

CCOC(=O)CC(c1ccccc1)N1CC(=O)N(c2ccccc2)c2ccc(C#CCCCNC(=O)OC(C)(C)C)cc2C1=O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.36
UTS2R Q9UKP6 2/20 0.35
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
CNR1 P21554 1/20 0.34
DRD2 P14416 1/20 0.33
HDAC1 Q13547 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
TPSAB1 Q15661 1/20 0.32
TPSD1 Q9BZJ3 1/20 0.32
TPSG1 Q9NRR2 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 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
SCHEMBL7323548 0.93 ITGB3 (0.39) ADORA3UTS2RDDB1CRBNITGB3
SCHEMBL7333049 0.92 ITGB3 (0.40) ADORA3UTS2RITGB3ITGA2BCNR1
SCHEMBL7334551 0.91 UTS2R (0.37) ADORA3UTS2RITGB3ITGA2BCNR1
SCHEMBL7329988 0.90 ADORA3 (0.36) ADORA3UTS2RITGB3ITGA2BCNR1
SCHEMBL7324973 0.87 ITGB3 (0.35) ITGB3ITGA2BHDAC1HDAC6
SCHEMBL7325129 0.87 ITGB3 (0.34) UTS2RDDB1CRBNITGB3ITGA2B
SCHEMBL7326194 0.86 PDCD1 (0.37) UTS2RDRD2TPSAB1TPSD1TPSG1
SCHEMBL7330631 0.85 ADORA3 (0.34) ADORA3UTS2RDDB1CRBNCNR1
SCHEMBL7330156 0.85 CNR1 (0.37) ADORA3DDB1CRBNITGB3ITGA2B
SCHEMBL8842947 0.85 UTS2R (0.34) UTS2RDRD2TPSAB1TPSD1TPSG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5565449-A PLATELET AGGREGATION INHIBITORS GENENTECH, INC. (US) 1996-10-15 US 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