SCHEMBL8103426

SCHEMBL8103426

CN(C)C(=O)ONN=Cc1ccc(N2CC[C@H](NC(=O)NCCC(=O)OC(C)(C)C)C2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.52
ITGA2B P08514 1/20 0.52
FPR2 P25090 15/20 0.34
FPR1 P21462 8/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 2/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.31
CCKBR P32239 1/20 0.30

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
SCHEMBL7446812 0.92 ITGB3 (0.55) ITGB3ITGA2BFPR2FPR1POLB
SCHEMBL7445990 0.91 ITGB3 (0.64) ITGB3ITGA2BFPR2FPR1POLB
SCHEMBL8109428 0.91 ITGB3 (0.57) ITGB3ITGA2BFPR2FPR1NPC1
SCHEMBL7450172 0.90 ITGB3 (0.51) ITGB3ITGA2BFPR2FPR1POLB
SCHEMBL7455258 0.89 ITGB3 (0.52) ITGB3ITGA2BFPR2FPR1
Water SCHEMBL7449658 0.89 ITGB3 (0.51) ITGB3ITGA2BFPR2FPR1POLB
SCHEMBL8093679 0.89 ITGB3 (0.56) ITGB3ITGA2BFPR2FPR1NPC1
SCHEMBL7442329 0.88 ITGB3 (0.57) ITGB3ITGA2BFPR2FPR1
SCHEMBL7455058 0.88 ITGB3 (0.55) ITGB3ITGA2BFPR2FPR1
SCHEMBL7447360 0.87 ITGB3 (0.56) ITGB3ITGA2BFPR2FPR1NPC1

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
US-6025358-A Double prodrugs of potent GP IIb/IIIa antagonists G. D. SEARLE & CO. (US) 2000-02-15 US claimed
US-6025358-A Double prodrugs of potent GP IIb/IIIa antagonists G. D. SEARLE & CO. (US) 2000-02-15 US disclosed