SCHEMBL8103425

SCHEMBL8103425

CN(C)C(=O)ONC(=N)c1ccc(N2CC[C@H](NC(=O)NCCC(=O)OC(C)(C)C)C2=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.61
ITGA2B P08514 1/20 0.61
FPR2 P25090 11/20 0.35
FPR1 P21462 5/20 0.34
HDAC1 Q13547 3/20 0.33
HDAC8 Q9BY41 3/20 0.33
HDAC6 Q9UBN7 3/20 0.33
DGAT2 Q96PD7 1/20 0.32
CCKBR P32239 1/20 0.32

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
SCHEMBL7446800 0.92 ITGB3 (0.64) ITGB3ITGA2BFPR2FPR1HDAC1
SCHEMBL8101929 0.91 ITGB3 (0.57) ITGB3ITGA2BFPR2FPR1HDAC1
SCHEMBL8109424 0.91 ITGB3 (0.66) ITGB3ITGA2BFPR2FPR1HDAC1
Hydrochloric Acid SCHEMBL8101680 0.91 ITGB3 (0.56) ITGB3ITGA2BFPR2FPR1HDAC1
SCHEMBL7454376 0.90 ITGB3 (0.63) ITGB3ITGA2BFPR2FPR1HDAC1
SCHEMBL7445983 0.89 ITGB3 (0.77) ITGB3ITGA2BFPR2FPR1HDAC1
SCHEMBL7450166 0.89 ITGB3 (0.60) ITGB3ITGA2BFPR2FPR1HDAC1
SCHEMBL8109527 0.89 ITGB3 (0.57) ITGB3ITGA2BFPR2FPR1HDAC1
SCHEMBL7455251 0.89 ITGB3 (0.61) ITGB3ITGA2BFPR2FPR1HDAC1
Water SCHEMBL7449648 0.88 ITGB3 (0.59) ITGB3ITGA2BFPR2FPR1HDAC1

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