SCHEMBL7449975

SCHEMBL7449975

CN(C)C(=O)ONN=Cc1ccc(N2CC[C@H](NC(=O)NCCC(=O)OCc3ccccc3)C2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.53
ITGA2B P08514 1/20 0.53
FPR2 P25090 3/20 0.36
FPR1 P21462 2/20 0.36
MIF P14174 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
ROCK2 O75116 1/20 0.33
EPHX2 P34913 1/20 0.33
GAA P10253 1/20 0.33
TRPM5 Q9NZQ8 1/20 0.32
POLB P06746 1/20 0.32
CYP2C19 P33261 1/20 0.32
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL7445990 0.91 ITGB3 (0.64) ITGB3ITGA2BFPR2FPR1MIF
SCHEMBL7455092 0.90 ITGB3 (0.57) ITGB3ITGA2BFPR2FPR1MIF
SCHEMBL7446812 0.89 ITGB3 (0.55) ITGB3ITGA2BFPR2FPR1ROCK2
SCHEMBL7442329 0.89 ITGB3 (0.57) ITGB3ITGA2BFPR2FPR1EPHX2
SCHEMBL7450415 0.88 ITGB3 (0.56) ITGB3ITGA2BFPR2FPR1MIF
SCHEMBL7450172 0.88 ITGB3 (0.51) ITGB3ITGA2BFPR2FPR1POLB
SCHEMBL7455058 0.88 ITGB3 (0.55) ITGB3ITGA2BFPR2FPR1
Water SCHEMBL7449658 0.88 ITGB3 (0.51) ITGB3ITGA2BFPR2FPR1POLB
SCHEMBL7447360 0.87 ITGB3 (0.56) ITGB3ITGA2BFPR2FPR1EPHX2
Hydrochloric Acid SCHEMBL7454721 0.87 ITGB3 (0.54) ITGB3ITGA2BFPR2FPR1MIF

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 4 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
WO-1999064397-A1 DOUBLE PRODRUGS OF POTENT GPIIb/IIIa ANTAGONISTS G.D. SEARLE & CO. (US) 1999-12-16 WO claimed
US-6025358-A Double prodrugs of potent GP IIb/IIIa antagonists G. D. SEARLE & CO. (US) 2000-02-15 US disclosed
WO-1999064397-A1 DOUBLE PRODRUGS OF POTENT GPIIb/IIIa ANTAGONISTS G.D. SEARLE & CO. (US) 1999-12-16 WO disclosed