SCHEMBL7449391

SCHEMBL7449391

CCCCOC(=O)CCNC(=O)N[C@H]1CCN(c2ccc(C(=N)NO)cc2)C1=O

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.68
ITGA2B P08514 2/20 0.68
EPHX2 P34913 2/20 0.39
FPR2 P25090 2/20 0.38
FPR1 P21462 1/20 0.38
HDAC6 Q9UBN7 8/20 0.37
HDAC8 Q9BY41 7/20 0.37
HDAC1 Q13547 6/20 0.37
MAPT P10636 1/20 0.36
ADAM17 P78536 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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 SCHEMBL7451897 0.99 ITGB3 (0.67) ITGB3ITGA2BEPHX2FPR2FPR1
SCHEMBL7450426 0.97 ITGB3 (0.67) ITGB3ITGA2BEPHX2FPR2FPR1
Hydrochloric Acid SCHEMBL7450412 0.97 ITGB3 (0.66) ITGB3ITGA2BEPHX2FPR2FPR1
SCHEMBL7446963 0.95 ITGB3 (0.70) ITGB3ITGA2BEPHX2FPR2FPR1
Hydrochloric Acid SCHEMBL7446935 0.94 ITGB3 (0.69) ITGB3ITGA2BEPHX2FPR2FPR1
SCHEMBL7447973 0.91 ITGB3 (0.81) ITGB3ITGA2BFPR2FPR1HDAC6
SCHEMBL7450550 0.91 ITGB3 (0.70) ITGB3ITGA2BEPHX2FPR2FPR1
SCHEMBL7452988 0.90 ITGB3 (0.83) ITGB3ITGA2BEPHX2FPR2MAPT
Hydrochloric Acid SCHEMBL7447955 0.90 ITGB3 (0.80) ITGB3ITGA2BFPR2FPR1HDAC6
Hydrochloric Acid SCHEMBL7452981 0.89 ITGB3 (0.81) ITGB3ITGA2BEPHX2FPR2MAPT

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