SCHEMBL7450405

SCHEMBL7450405

N=C(NO)c1ccc(N2CC[C@H](NC(=O)NCCC(=O)OCc3ccccc3)C2=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.63
ITGA2B P08514 1/20 0.63
FPR2 P25090 3/20 0.43
FPR1 P21462 2/20 0.43
HDAC6 Q9UBN7 8/20 0.42
HDAC1 Q13547 8/20 0.42
HDAC8 Q9BY41 7/20 0.42
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
EPHX2 P34913 1/20 0.37
ROCK2 O75116 1/20 0.37
GAA P10253 1/20 0.37
NOTUM Q6P988 1/20 0.37
CPB1 P15086 1/20 0.35

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 SCHEMBL7454717 0.98 ITGB3 (0.61) ITGB3ITGA2BFPR2FPR1HDAC6
SCHEMBL7455082 0.91 ITGB3 (0.65) ITGB3ITGA2BFPR2FPR1HDAC6
SCHEMBL7449970 0.88 ITGB3 (0.62) ITGB3ITGA2BFPR2FPR1HDAC6
SCHEMBL7447973 0.88 ITGB3 (0.81) ITGB3ITGA2BFPR2FPR1HDAC6
Hydrochloric Acid SCHEMBL7447955 0.87 ITGB3 (0.80) ITGB3ITGA2BFPR2FPR1HDAC6
SCHEMBL7444870 0.86 ITGB3 (0.68) ITGB3ITGA2BFPR2FPR1HDAC6
SCHEMBL7446563 0.86 ITGB3 (0.59) ITGB3ITGA2BFPR2FPR1HDAC6
SCHEMBL7446963 0.86 ITGB3 (0.70) ITGB3ITGA2BFPR2FPR1HDAC6
SCHEMBL7444231 0.85 ITGB3 (0.58) ITGB3ITGA2BFPR2FPR1HDAC6
SCHEMBL7446262 0.85 ITGB3 (0.60) 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 4 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
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