SCHEMBL8541193

SCHEMBL8541193

COC(=O)NC(=N)c1ccc(C(=O)Nc2ccc3c(c2)CCC(CC(=O)O)O3)cc1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.74
ITGA2B P08514 16/20 0.74
CYP2D6 P10635 1/20 0.39
OPRK1 P41145 1/20 0.39
MCHR1 Q99705 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL8545462 0.91 ITGB3 (0.67) ITGB3ITGA2BNPC1RAB9ASMN1; SMN2
SCHEMBL6953119 0.89 ITGB3 (0.78) ITGB3ITGA2BMCHR1
SCHEMBL6954012 0.89 ITGB3 (0.59) ITGB3ITGA2BCYP2D6OPRK1MCHR1
SCHEMBL6951251 0.88 ITGB3 (0.75) ITGB3ITGA2BMCHR1
SCHEMBL6958047 0.86 ITGB3 (0.73) ITGB3ITGA2BMCHR1
SCHEMBL6957424 0.85 ITGB3 (0.59) ITGB3ITGA2BCYP2D6NPC1PKM
SCHEMBL6496087 0.85 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL6496092 0.85 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL6951962 0.84 ITGB3 (0.70) ITGB3ITGA2BRAB9ASMN1; SMN2
SCHEMBL6957669 0.84 ITGB3 (0.86) ITGB3ITGA2B

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
EP-0804431-A4 GLYCOPROTEIN IIb/IIIa ANTAGONISTS LILLY CO ELI (US) 1998-04-29 EP disclosed
EP-0804431-A1 GLYCOPROTEIN IIb/IIIa ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-11-05 EP disclosed