SCHEMBL7448301

SCHEMBL7448301

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

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.56
ITGA2B P08514 11/20 0.56
FPR2 P25090 5/20 0.36
HDAC6 Q9UBN7 4/20 0.36
FPR1 P21462 3/20 0.36
HDAC1 Q13547 3/20 0.33
HDAC8 Q9BY41 3/20 0.33

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
SCHEMBL7449484 0.95 ITGB3 (0.55) ITGB3ITGA2BFPR2HDAC6FPR1
Trifluoroacetic Acid SCHEMBL7442341 0.95 ITGB3 (0.51) ITGB3ITGA2BFPR2HDAC6FPR1
SCHEMBL7448991 0.93 ITGB3 (0.60) ITGB3ITGA2BFPR2HDAC6FPR1
Hydrochloric Acid SCHEMBL7450529 0.92 ITGB3 (0.59) ITGB3ITGA2BFPR2HDAC6FPR1
SCHEMBL7450166 0.91 ITGB3 (0.60) ITGB3ITGA2BFPR2HDAC6FPR1
SCHEMBL7454091 0.91 ITGB3 (0.71) ITGB3ITGA2BFPR2HDAC6FPR1
Water SCHEMBL7449648 0.90 ITGB3 (0.59) ITGB3ITGA2BFPR2HDAC6FPR1
SCHEMBL8101929 0.90 ITGB3 (0.57) ITGB3ITGA2BFPR2HDAC6FPR1
Hydrochloric Acid SCHEMBL7442895 0.90 ITGB3 (0.70) ITGB3ITGA2BFPR2HDAC6FPR1
SCHEMBL7449883 0.90 ITGB3 (0.57) ITGB3ITGA2BFPR2HDAC6FPR1

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 3 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
WO-1999064397-A1 DOUBLE PRODRUGS OF POTENT GPIIb/IIIa ANTAGONISTS G.D. SEARLE & CO. (US) 1999-12-16 WO disclosed