SCHEMBL7450415

SCHEMBL7450415

O=C(NCCC(=O)OCc1ccccc1)N[C@H]1CCN(c2ccc(C=NNO)cc2)C1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.56
ITGA2B P08514 1/20 0.56
FPR2 P25090 3/20 0.41
FPR1 P21462 2/20 0.41
MIF P14174 1/20 0.40
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
EPHX2 P34913 1/20 0.37
ROCK2 O75116 1/20 0.37
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
Hydrochloric Acid SCHEMBL7454721 0.98 ITGB3 (0.54) ITGB3ITGA2BFPR2FPR1MIF
SCHEMBL7455092 0.90 ITGB3 (0.57) ITGB3ITGA2BFPR2FPR1MIF
SCHEMBL7449818 0.89 ITGB3 (0.70) ITGB3ITGA2BFPR2FPR1MIF
SCHEMBL7449975 0.88 ITGB3 (0.53) ITGB3ITGA2BFPR2FPR1MIF
Hydrochloric Acid SCHEMBL7447965 0.88 ITGB3 (0.69) ITGB3ITGA2BFPR2FPR1MIF
SCHEMBL7444880 0.87 ITGB3 (0.59) ITGB3ITGA2BFPR2FPR1KMT2A
SCHEMBL7449994 0.86 ITGB3 (0.62) ITGB3ITGA2BFPR2FPR1KMT2A
SCHEMBL7446276 0.86 ITGB3 (0.52) ITGB3ITGA2BFPR2FPR1HDAC1
SCHEMBL7449230 0.85 ITGB3 (0.59) ITGB3ITGA2BFPR2FPR1KMT2A
SCHEMBL7449922 0.85 ITGB3 (0.59) ITGB3ITGA2BFPR2FPR1EPHX2

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
WO-1999064397-A1 DOUBLE PRODRUGS OF POTENT GPIIb/IIIa ANTAGONISTS G.D. SEARLE & CO. (US) 1999-12-16 WO claimed