SCHEMBL8995531

SCHEMBL8995531

N=C(N)c1ccc(CCCCNC(=O)[C@@H](CC(=O)O)n2cccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.51
ITGA2B P08514 12/20 0.51
ST14 Q9Y5Y6 2/20 0.47
F10 P00742 4/20 0.43
PRSS1 P07477 2/20 0.43
F2 P00734 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
SCHEMBL7474092 1.00 ITGB3 (0.51) ITGB3ITGA2BST14F10PRSS1
SCHEMBL8995542 0.81 NAMPT (0.45)
SCHEMBL8995539 0.81 NAMPT (0.45)
SCHEMBL8995552 0.81 ITGB3 (0.61) ITGB3ITGA2BST14F10PRSS1
SCHEMBL8995543 0.81 ITGB3 (0.61) ITGB3ITGA2BST14F10PRSS1
SCHEMBL7425557 0.76 ITGB3 (0.62) ITGB3ITGA2BF10PRSS1
SCHEMBL7425539 0.76 ITGB3 (0.62) ITGB3ITGA2BF10PRSS1
SCHEMBL7422860 0.75 ITGB3 (0.61) ITGB3ITGA2BST14F10PRSS1
SCHEMBL7421017 0.75 ITGB3 (0.61) ITGB3ITGA2BST14F10PRSS1
SCHEMBL7412408 0.75 ITGB3 (0.61) ITGB3ITGA2BST14F10PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5552431-A ANTICOAGULANTS G. D. SEARLE & CO. (US) 1996-09-03 US claimed
US-5552431-A ANTICOAGULANTS G. D. SEARLE & CO. (US) 1996-09-03 US disclosed