SCHEMBL7447356

SCHEMBL7447356

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

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.65
ITGA2B P08514 2/20 0.65
EPHX2 P34913 2/20 0.35
CYP1A2 P05177 1/20 0.34
FPR2 P25090 4/20 0.34
MAPT P10636 1/20 0.34
HDAC6 Q9UBN7 3/20 0.33
FPR1 P21462 2/20 0.33
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ADAM17 P78536 1/20 0.31
HRH2 P25021 1/20 0.31
HRH1 P35367 1/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC8 Q9BY41 2/20 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
SCHEMBL7444768 0.98 ITGB3 (0.64) ITGB3ITGA2BEPHX2CYP1A2FPR2
SCHEMBL7442322 0.95 ITGB3 (0.67) ITGB3ITGA2BEPHX2CYP1A2FPR2
SCHEMBL7445983 0.92 ITGB3 (0.77) ITGB3ITGA2BFPR2HDAC6FPR1
SCHEMBL7446731 0.92 ITGB3 (0.60) ITGB3ITGA2BEPHX2CYP1A2FPR2
SCHEMBL7450550 0.91 ITGB3 (0.70) ITGB3ITGA2BEPHX2FPR2MAPT
Hydrochloric Acid SCHEMBL7450410 0.91 ITGB3 (0.60) ITGB3ITGA2BEPHX2CYP1A2FPR2
SCHEMBL7451987 0.90 ITGB3 (0.60) ITGB3ITGA2BEPHX2CYP1A2FPR2
SCHEMBL7449435 0.89 ITGB3 (0.61) ITGB3ITGA2BEPHX2CYP1A2FPR2
SCHEMBL7446800 0.89 ITGB3 (0.64) ITGB3ITGA2BEPHX2FPR2HDAC6
Water SCHEMBL7450330 0.89 ITGB3 (0.59) ITGB3ITGA2BEPHX2CYP1A2FPR2

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