SCHEMBL8103703

SCHEMBL8103703

CC(C)COC(=O)CCNC(=O)NC1CCN(c2ccc(C(=N)NOC(=O)N(C)C)cc2)C1=O

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.63
ITGA2B P08514 1/20 0.63
FPR2 P25090 10/20 0.34
FPR1 P21462 6/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HDAC6 Q9UBN7 6/20 0.31
HDAC1 Q13547 5/20 0.31
HDAC8 Q9BY41 5/20 0.31
ROCK2 O75116 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
SCHEMBL7455056 1.00 ITGB3 (0.63) ITGB3ITGA2BFPR2FPR1SMN1; SMN2
SCHEMBL7450577 0.92 ITGB3 (0.59) ITGB3ITGA2BFPR2FPR1SMN1; SMN2
SCHEMBL7445983 0.91 ITGB3 (0.77) ITGB3ITGA2BFPR2FPR1HDAC6
SCHEMBL7449988 0.91 ITGB3 (0.69) ITGB3ITGA2BFPR2FPR1SMN1; SMN2
Hydrochloric Acid SCHEMBL7448472 0.91 ITGB3 (0.58) ITGB3ITGA2BFPR2FPR1SMN1; SMN2
SCHEMBL7454726 0.90 ITGB3 (0.58) ITGB3ITGA2BFPR2FPR1SMN1; SMN2
SCHEMBL7455251 0.90 ITGB3 (0.61) ITGB3ITGA2BFPR2FPR1SMN1; SMN2
SCHEMBL7446800 0.90 ITGB3 (0.64) ITGB3ITGA2BFPR2FPR1HDAC6
SCHEMBL7442322 0.90 ITGB3 (0.67) ITGB3ITGA2BFPR2FPR1SMN1; SMN2
SCHEMBL8093830 0.89 ITGB3 (0.60) ITGB3ITGA2BFPR2FPR1SMN1; SMN2

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 disclosed