SCHEMBL7446276

SCHEMBL7446276

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

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.52
ITGA2B P08514 1/20 0.52
FPR2 P25090 11/20 0.43
FPR1 P21462 9/20 0.43
HDAC1 Q13547 6/20 0.37
HDAC8 Q9BY41 6/20 0.37
HDAC6 Q9UBN7 6/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
THRB P10828 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
SCHEMBL7413115 0.90 ITGB3 (0.55) ITGB3ITGA2BFPR2FPR1HDAC1
SCHEMBL7444880 0.89 ITGB3 (0.59) ITGB3ITGA2BFPR2FPR1KDM4E
SCHEMBL7455089 0.88 ITGB3 (0.56) ITGB3ITGA2BFPR2FPR1
SCHEMBL7449818 0.88 ITGB3 (0.70) ITGB3ITGA2BFPR2FPR1KDM4E
Acetic Acid SCHEMBL7418347 0.87 ITGB3 (0.54) ITGB3ITGA2BFPR2FPR1HDAC1
Hydrochloric Acid SCHEMBL7447965 0.87 ITGB3 (0.69) ITGB3ITGA2BFPR2FPR1KDM4E
SCHEMBL8093679 0.86 ITGB3 (0.56) ITGB3ITGA2BFPR2FPR1HDAC1
SCHEMBL7445991 0.86 ITGB3 (0.56) ITGB3ITGA2BFPR2FPR1HDAC1
SCHEMBL7450172 0.86 ITGB3 (0.51) ITGB3ITGA2BFPR2FPR1
SCHEMBL7450415 0.86 ITGB3 (0.56) ITGB3ITGA2BFPR2FPR1HDAC1

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
WO-1999064397-A1 DOUBLE PRODRUGS OF POTENT GPIIb/IIIa ANTAGONISTS G.D. SEARLE & CO. (US) 1999-12-16 WO claimed
WO-1999064397-A1 DOUBLE PRODRUGS OF POTENT GPIIb/IIIa ANTAGONISTS G.D. SEARLE & CO. (US) 1999-12-16 WO disclosed