SCHEMBL8893748

SCHEMBL8893748

CSC(=N)c1ccc(N2CC(C(=O)N3CCC(C(=O)OCc4ccccc4)CC3)OC2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
ITGB3 P05106 9/20 0.43
PRSS1 P07477 9/20 0.43
PRSS2 P07478 9/20 0.43
ITGA2B P08514 9/20 0.43
PRSS3 P35030 9/20 0.43
F10 P00742 10/20 0.42
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 1/20 0.39
CYP2C19 P33261 1/20 0.38
F2 P00734 1/20 0.37

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
SCHEMBL8894267 0.89 PRSS1 (0.51) HPGDITGB3PRSS1PRSS2ITGA2B
SCHEMBL8894919 0.86 ITGB3 (0.40) HPGDITGB3PRSS1PRSS2ITGA2B
SCHEMBL8892948 0.85 SMN1; SMN2 (0.44) HPGDITGB3PRSS1PRSS2ITGA2B
SCHEMBL8893356 0.84 SMN1; SMN2 (0.42) HPGDITGB3PRSS1PRSS2ITGA2B
SCHEMBL8890920 0.83 L3MBTL1 (0.49) HPGDSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL8892614 0.79 HPGD (0.43) HPGDITGB3PRSS1PRSS2ITGA2B
SCHEMBL7462601 0.77 PRSS1 (0.41) ITGB3PRSS1PRSS2ITGA2BPRSS3
SCHEMBL8893744 0.77 HPGD (0.37) HPGDSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL8892077 0.75 ITGB3 (0.43) HPGDITGB3PRSS1PRSS2ITGA2B
SCHEMBL7466571 0.74 SMN1; SMN2 (0.38) HPGDITGB3PRSS1PRSS2ITGA2B

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