SCHEMBL7449965

SCHEMBL7449965

CN(C)CCN(C)C(=O)ONC(=N)c1ccc(N2CC[C@H](NC(=O)NCCC(=O)OCc3ccccc3)C2=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.58
ITGA2B P08514 1/20 0.58
FPR2 P25090 2/20 0.35
FPR1 P21462 1/20 0.35
HDAC6 Q9UBN7 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HDAC1 Q13547 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
TMEM97 Q5BJF2 5/20 0.32
SIGMAR1 Q99720 5/20 0.32
ROCK2 O75116 1/20 0.32
EPHX2 P34913 1/20 0.32
GAA P10253 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
SCHEMBL7449970 0.92 ITGB3 (0.62) ITGB3ITGA2BFPR2FPR1HDAC6
SCHEMBL7444231 0.91 ITGB3 (0.58) ITGB3ITGA2BFPR2FPR1HDAC6
SCHEMBL7454091 0.90 ITGB3 (0.71) ITGB3ITGA2BFPR2FPR1HDAC6
Hydrochloric Acid SCHEMBL7442895 0.90 ITGB3 (0.70) ITGB3ITGA2BFPR2FPR1HDAC6
SCHEMBL7448991 0.90 ITGB3 (0.60) ITGB3ITGA2BFPR2FPR1HDAC6
SCHEMBL7449820 0.89 ITGB3 (0.62) ITGB3ITGA2BFPR2FPR1HDAC6
Hydrochloric Acid SCHEMBL7450529 0.89 ITGB3 (0.59) ITGB3ITGA2BFPR2FPR1HDAC6
SCHEMBL7448301 0.89 ITGB3 (0.56) ITGB3ITGA2BFPR2FPR1HDAC6
SCHEMBL7450577 0.88 ITGB3 (0.59) ITGB3ITGA2BFPR2FPR1HDAC6
Hydrochloric Acid SCHEMBL7454380 0.88 ITGB3 (0.61) ITGB3ITGA2BFPR2FPR1HDAC6

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
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