SCHEMBL5780901

SCHEMBL5780901

CCOC(=O)COC1CCN(C(=O)CN2C=C3C=CC(C(=N)N)C(=O)C3C2)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.43
ITGA2B P08514 6/20 0.43
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PRKCA P17252 1/20 0.30
GSK3B P49841 1/20 0.30
AOC3 Q16853 1/20 0.30

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
SCHEMBL5785627 0.92 ITGB3 (0.39) ITGB3ITGA2BKDM4EPKMALDH1A1
SCHEMBL5785086 0.89 ITGB3 (0.38) ITGB3ITGA2B
SCHEMBL5785030 0.84 ITGB3 (0.37) ITGB3ITGA2BKDM4EALDH1A1GAA
SCHEMBL5782934 0.82 ITGB3 (0.39) ITGB3ITGA2BALDH1A1
SCHEMBL5783539 0.79 ITGB3 (0.33) ITGB3ITGA2BKDM4E
SCHEMBL5783451 0.77 TPSAB1 (0.37) KDM4EALDH1A1GAAL3MBTL1
SCHEMBL5784542 0.75 HPGD (0.39) KDM4EALDH1A1GAA
SCHEMBL5784707 0.74 HPGD (0.38) KDM4EALDH1A1GAAL3MBTL1
SCHEMBL5782451 0.74 HPGD (0.46) KDM4EALDH1A1GAA
SCHEMBL5781784 0.73 GAA (0.35) KDM4EPKMALDH1A1GAAL3MBTL1

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
EP-1677783-A2 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE Nicholas Piramal India Limited (IN) 2006-07-12 EP disclosed
WO-2005035495-A2 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE NICHOLAS PIRAMAL INDIA LIMITED (IN) 2005-04-21 WO disclosed