SCHEMBL7454091

SCHEMBL7454091

CCOC(=O)CCNC(=O)N[C@H]1CCN(c2ccc(C(=N)NOC(=O)N(C)CCN(C)C)cc2)C1=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.71
ITGA2B P08514 5/20 0.71
HDAC6 Q9UBN7 2/20 0.34
PRSS1 P07477 5/20 0.33
PRSS2 P07478 5/20 0.33
PRSS3 P35030 5/20 0.33
FPR2 P25090 4/20 0.33
FPR1 P21462 2/20 0.33
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
F10 P00742 1/20 0.31
PLG P00747 1/20 0.31
ST14 Q9Y5Y6 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
CYP1A2 P05177 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
Hydrochloric Acid SCHEMBL7442895 0.99 ITGB3 (0.70) ITGB3ITGA2BHDAC6PRSS1PRSS2
SCHEMBL7447031 0.95 ITGB3 (0.69) ITGB3ITGA2BHDAC6PRSS1PRSS2
Hydrochloric Acid SCHEMBL7447025 0.95 ITGB3 (0.68) ITGB3ITGA2BHDAC6PRSS1PRSS2
SCHEMBL7449820 0.94 ITGB3 (0.62) ITGB3ITGA2BHDAC6FPR2FPR1
Hydrochloric Acid SCHEMBL7454380 0.93 ITGB3 (0.61) ITGB3ITGA2BHDAC6FPR2FPR1
SCHEMBL7448991 0.93 ITGB3 (0.60) ITGB3ITGA2BHDAC6FPR2FPR1
SCHEMBL7446731 0.93 ITGB3 (0.60) ITGB3ITGA2BHDAC6FPR2FPR1
Hydrochloric Acid SCHEMBL7450529 0.92 ITGB3 (0.59) ITGB3ITGA2BHDAC6FPR2FPR1
SCHEMBL7451987 0.92 ITGB3 (0.60) ITGB3ITGA2BHDAC6FPR2FPR1
Hydrochloric Acid SCHEMBL7450410 0.92 ITGB3 (0.60) ITGB3ITGA2BHDAC6FPR2FPR1

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