SCHEMBL7380002

SCHEMBL7380002

CCOC(=O)CC(NC(=O)CCCCc1ccc(C(=N)N)cc1)c1ccc(C(=O)OCC)cc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.63
ITGA2B P08514 9/20 0.63
F2 P00734 7/20 0.56
F10 P00742 7/20 0.56
PRSS1 P07477 3/20 0.48
HTT P42858 1/20 0.43
ALDH1A1 P00352 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL7390547 0.91 ITGB3 (0.62) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7385768 0.91 ITGB3 (0.62) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7386054 0.91 ITGB3 (0.76) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7386546 0.91 ITGB3 (0.61) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7388719 0.90 ITGB3 (0.68) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7384281 0.89 ITGB3 (0.59) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7386153 0.88 ITGB3 (0.66) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7388291 0.87 ITGB3 (0.56) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7385249 0.87 ITGB3 (0.56) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7382678 0.87 ITGB3 (0.58) 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
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
EP-0513810-A1 Peptide mimetic compounds useful as platelet aggregation inhibitors G.D. Searle & Co. (US) 1992-11-19 EP disclosed