SCHEMBL8776989

SCHEMBL8776989

CCOC(=O)C[C@H](NC(=O)NCCCCc1ccc(C(=N)N)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.49
TSHR P16473 1/20 0.48
KLKB1 P03952 2/20 0.46
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
F10 P00742 4/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 3/20 0.43
PRSS1 P07477 1/20 0.43
F7 P08709 1/20 0.43

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
SCHEMBL7721971 0.88 ITGB3 (0.58) F2ITGB3ITGA2BF10PRSS1
SCHEMBL7416760 0.83 ITGB3 (0.56) ITGB3ITGA2BF10KMT2APRSS1
SCHEMBL7385706 0.82 F2 (0.60) F2ITGB3ITGA2BF10PRSS1
SCHEMBL7388772 0.79 F2 (0.51) F2ITGB3ITGA2BF10PRSS1
SCHEMBL7385708 0.78 TSHR (0.53) TSHRKLKB1POLBKMT2A
SCHEMBL7384711 0.78 F10 (0.42) F2ITGB3ITGA2BF10PRSS1
SCHEMBL7388769 0.78 ITGB3 (0.44) F2ITGB3ITGA2BF10PRSS1
SCHEMBL9435428 0.78 ITGB3 (0.60) ITGB3ITGA2BPOLB
SCHEMBL7384715 0.77 ITGB3 (0.59) F2ITGB3ITGA2BF10PRSS1
SCHEMBL7383870 0.76 F2 (0.49) F2ITGB3ITGA2BF10PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0659193-B1 PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 1997-12-10 EP claimed