SCHEMBL7385249

SCHEMBL7385249

CCOC(=O)CC(NC(=O)CCCCc1ccc(C(=N)N)cc1)c1ccc(OC)c(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.56
ITGA2B P08514 6/20 0.56
F2 P00734 6/20 0.52
F10 P00742 6/20 0.52
PRSS1 P07477 3/20 0.48
ITGAV P06756 1/20 0.44
ITGB5 P18084 1/20 0.44
ITGB6 P18564 1/20 0.44
ITGB8 P26012 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 2/20 0.42
PRSS2 P07478 1/20 0.41
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
PRSS3 P35030 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
SCHEMBL7388477 0.89 ITGB3 (0.71) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL7384578 0.88 ITGB3 (0.57) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7388291 0.88 ITGB3 (0.56) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7380002 0.87 ITGB3 (0.63) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7385768 0.86 ITGB3 (0.62) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7390547 0.86 ITGB3 (0.62) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7386054 0.86 ITGB3 (0.76) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7386546 0.85 ITGB3 (0.61) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7382678 0.85 ITGB3 (0.58) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7387478 0.85 ITGB3 (0.49) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5220050-A PEPTIDE MIMETIC COMPOUNDS USEFUL AS PLATELET AGGREGATION INHIBITORS G. D. SEARLE & CO. (US) 1993-06-15 US claimed
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