SCHEMBL8948763

SCHEMBL8948763

N=C(N)c1ccc(N2C[C@H](CN3CCC(C(=O)OCc4ccccc4)CC3)OC2=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.57
ITGB3 P05106 10/20 0.57
ITGA2B P08514 10/20 0.57
PRSS1 P07477 10/20 0.57
PRSS2 P07478 10/20 0.57
PRSS3 P35030 10/20 0.57
F2 P00734 1/20 0.51
SIGMAR1 Q99720 3/20 0.45
HPN P05981 1/20 0.44
HGFAC Q04756 1/20 0.44
ST14 Q9Y5Y6 1/20 0.44
HPGD P15428 1/20 0.43
GRM2 Q14416 1/20 0.42

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
SCHEMBL8948668 1.00 F10 (0.57) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL8948672 1.00 F10 (0.57) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL8312993 0.88 PRSS1 (0.46) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL8313362 0.88 PRSS1 (0.46) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL8316057 0.88 PRSS1 (0.46) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL8948829 0.87 ITGB3 (0.72) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL8948798 0.87 ITGB3 (0.72) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL8948761 0.87 ITGB3 (0.72) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL8313192 0.85 ITGB3 (0.66) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL8948663 0.85 L3MBTL1 (0.49) F10ITGB3ITGA2BPRSS1PRSS2

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
US-5532255-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-02 US disclosed