SCHEMBL8101804

SCHEMBL8101804

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

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.60
ITGA2B P08514 1/20 0.60
HDAC6 Q9UBN7 2/20 0.34
FPR2 P25090 17/20 0.33
FPR1 P21462 10/20 0.33
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 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
Hydrochloric Acid SCHEMBL7448122 0.99 ITGB3 (0.59) ITGB3ITGA2BHDAC6FPR2FPR1
SCHEMBL7447038 0.92 ITGB3 (0.72) ITGB3ITGA2BHDAC6FPR2FPR1
SCHEMBL8109527 0.91 ITGB3 (0.57) ITGB3ITGA2BHDAC6FPR2FPR1
SCHEMBL7447482 0.91 ITGB3 (0.61) ITGB3ITGA2BHDAC6FPR2FPR1
SCHEMBL7449295 0.90 ITGB3 (0.59) ITGB3ITGA2BHDAC6FPR2FPR1
SCHEMBL7450950 0.90 ITGB3 (0.63) ITGB3ITGA2BHDAC6FPR2FPR1
Acetic Acid SCHEMBL7445840 0.90 ITGB3 (0.69) ITGB3ITGA2BHDAC6FPR2FPR1
SCHEMBL8093830 0.90 ITGB3 (0.60) ITGB3ITGA2BHDAC6FPR2FPR1
SCHEMBL7454376 0.89 ITGB3 (0.63) ITGB3ITGA2BHDAC6FPR2FPR1
SCHEMBL7449435 0.89 ITGB3 (0.61) ITGB3ITGA2BHDAC6FPR2FPR1

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 1 patent. 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