SCHEMBL7380948

SCHEMBL7380948

CCOC(=O)CC(CC(C)C)NC(=O)CCCCc1ccc(C(=N)N)cc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.60
ITGA2B P08514 12/20 0.60
F2 P00734 4/20 0.53
F10 P00742 4/20 0.53
PRSS1 P07477 1/20 0.48
ST14 Q9Y5Y6 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL7386530 0.88 ITGB3 (0.74) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7378671 0.86 ITGB3 (0.76) ITGB3ITGA2BPRSS1ST14
SCHEMBL7387875 0.86 ITGB3 (0.76) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7390380 0.86 ITGB3 (0.64) ITGB3ITGA2BF2F10PRSS1
SCHEMBL9710588 0.86 ITGB3 (0.64) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7380956 0.83 CYP4Z1 (0.43) ITGB3ITGA2BGAAMAPK1NPSR1
SCHEMBL8971449 0.82 ITGB3 (0.57) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7380002 0.82 ITGB3 (0.63) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7385655 0.82 ITGB3 (0.57) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7386054 0.81 ITGB3 (0.76) ITGB3ITGA2BF2F10PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992020705-A1 PEPTIDE MIMETIC COMPOUNDS USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1992-11-26 WO claimed
US-5220050-A PEPTIDE MIMETIC COMPOUNDS USEFUL AS PLATELET AGGREGATION INHIBITORS G. D. SEARLE & CO. (US) 1993-06-15 US disclosed
WO-1992020705-A1 PEPTIDE MIMETIC COMPOUNDS USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1992-11-26 WO disclosed
EP-0513810-A1 Peptide mimetic compounds useful as platelet aggregation inhibitors G.D. Searle & Co. (US) 1992-11-19 EP disclosed