SCHEMBL8893356

SCHEMBL8893356

NC(=NO)c1ccc(N2CC(C(=O)N3CCC(C(=O)OCc4ccccc4)CC3)OC2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
CYP2C19 P33261 1/20 0.42
HPGD P15428 1/20 0.42
ITGB3 P05106 10/20 0.41
ITGA2B P08514 10/20 0.41
F10 P00742 10/20 0.41
PRSS1 P07477 9/20 0.41
PRSS2 P07478 9/20 0.41
PRSS3 P35030 9/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
F2 P00734 1/20 0.36
MAPT P10636 1/20 0.35

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 0.90 PRSS1 (0.51) SMN1; SMN2CYP2C19HPGDITGB3ITGA2B
SCHEMBL8892948 0.90 SMN1; SMN2 (0.44) SMN1; SMN2CYP2C19HPGDITGB3ITGA2B
SCHEMBL8890920 0.85 L3MBTL1 (0.49) SMN1; SMN2CYP2C19HPGDNPC1RAB9A
SCHEMBL8894588 0.85 ITGB3 (0.42) SMN1; SMN2ITGB3ITGA2BF10PRSS1
SCHEMBL8893748 0.84 HPGD (0.44) SMN1; SMN2CYP2C19HPGDITGB3ITGA2B
SCHEMBL8893365 0.78 SMN1; SMN2 (0.39) SMN1; SMN2CYP2C19HPGDF10NPC1
SCHEMBL8893347 0.78 SMN1; SMN2 (0.39) SMN1; SMN2CYP2C19HPGDF10NPC1
SCHEMBL8892614 0.78 HPGD (0.43) SMN1; SMN2CYP2C19HPGDITGB3ITGA2B
SCHEMBL7462601 0.78 PRSS1 (0.41) SMN1; SMN2CYP2C19ITGB3ITGA2BF10
SCHEMBL7466571 0.78 SMN1; SMN2 (0.38) SMN1; SMN2CYP2C19HPGDITGB3ITGA2B

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