SCHEMBL8893076

SCHEMBL8893076

N=C(N)c1ccc(NC(=O)NCc2ccc(N3CC(C(=O)OCc4ccccc4)OC3=O)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.45
PRSS1 P07477 7/20 0.45
PRSS2 P07478 7/20 0.45
ITGA2B P08514 7/20 0.45
PRSS3 P35030 7/20 0.45
F10 P00742 4/20 0.45
F2 P00734 9/20 0.43
MAPT P10636 1/20 0.42
NAMPT P43490 1/20 0.42
F7 P08709 3/20 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
SCHEMBL8891945 0.90 PRSS1 (0.49) ITGB3PRSS1PRSS2ITGA2BPRSS3
SCHEMBL7463121 0.87 ITGB3 (0.43) ITGB3PRSS1PRSS2ITGA2BPRSS3
SCHEMBL7462105 0.87 F10 (0.51) ITGB3PRSS1PRSS2ITGA2BPRSS3
SCHEMBL8892670 0.86 NPC1 (0.40) ITGB3MAPTNAMPT
SCHEMBL7462114 0.81 PRSS1 (0.47) ITGB3PRSS1PRSS2ITGA2BPRSS3
SCHEMBL7461796 0.78 F10 (0.41) ITGB3PRSS1PRSS2ITGA2BPRSS3
SCHEMBL8894267 0.76 PRSS1 (0.51) ITGB3PRSS1PRSS2ITGA2BPRSS3
SCHEMBL7461194 0.76 ITGB3 (0.55) ITGB3PRSS1PRSS2ITGA2BPRSS3
SCHEMBL8892667 0.76 HPGD (0.37) ITGB3PRSS1PRSS2ITGA2BPRSS3
SCHEMBL7461804 0.72 F10 (0.39) ITGB3PRSS1PRSS2ITGA2BPRSS3

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-5614535-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-03-25 US disclosed