SCHEMBL7449922

SCHEMBL7449922

CC(C)COC(=O)CCNC(=O)N[C@H]1CCN(c2ccc(C=NNO)cc2)C1=O

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.59
ITGA2B P08514 1/20 0.59
FPR2 P25090 10/20 0.36
FPR1 P21462 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 2/20 0.32
EPHX2 P34913 1/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
LMNA P02545 1/20 0.32
KDM4E B2RXH2 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
Hydrochloric Acid SCHEMBL7446001 0.99 ITGB3 (0.58) ITGB3ITGA2BFPR2FPR1SMN1; SMN2
SCHEMBL7449818 0.91 ITGB3 (0.70) ITGB3ITGA2BFPR2FPR1SMN1; SMN2
Hydrochloric Acid SCHEMBL7447965 0.90 ITGB3 (0.69) ITGB3ITGA2BFPR2FPR1SMN1; SMN2
SCHEMBL7449998 0.90 ITGB3 (0.60) ITGB3ITGA2BFPR2FPR1SMN1; SMN2
SCHEMBL7445991 0.90 ITGB3 (0.56) ITGB3ITGA2BFPR2FPR1SMN1; SMN2
SCHEMBL7444880 0.89 ITGB3 (0.59) ITGB3ITGA2BFPR2FPR1SMN1; SMN2
SCHEMBL7455058 0.89 ITGB3 (0.55) ITGB3ITGA2BFPR2FPR1SMN1; SMN2
Hydrochloric Acid SCHEMBL7454544 0.89 ITGB3 (0.55) ITGB3ITGA2BFPR2FPR1SMN1; SMN2
SCHEMBL7449994 0.89 ITGB3 (0.62) ITGB3ITGA2BFPR2FPR1SMN1; SMN2
SCHEMBL7449230 0.88 ITGB3 (0.59) ITGB3ITGA2BFPR2FPR1NPC1

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 2 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