SCHEMBL5222897

SCHEMBL5222897

CC(C)(C)OC(=O)N1CCO[C@H](Cc2ccc(O)c(Cl)c2)C1.[Fe]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 4/20 0.44
ERBB2 P04626 1/20 0.44
EPHB4 P54760 1/20 0.44
P4HB P07237 1/20 0.39
PARP1 P09874 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
USP2 O75604 1/20 0.38
ESR2 Q92731 1/20 0.38
NR1D1 P20393 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
OPRK1 P41145 1/20 0.37
USP30 Q70CQ3 1/20 0.37
VEGFA P15692 1/20 0.37

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
SCHEMBL1551919 0.99 EPHA2 (0.44) EPHA2ERBB2EPHB4P4HBPARP1
SCHEMBL31076483 0.99 EPHA2 (0.44) EPHA2ERBB2EPHB4P4HBPARP1
SCHEMBL1552945 0.99 EPHA2 (0.44) EPHA2ERBB2EPHB4P4HBPARP1
SCHEMBL14289466 0.89 EPHA2 (0.41) EPHA2ERBB2EPHB4SMN1; SMN2USP2
SCHEMBL1553166 0.88 EPHA2 (0.44) EPHA2ERBB2EPHB4PARP1PARP2
SCHEMBL1553137 0.88 EPHA2 (0.44) EPHA2ERBB2EPHB4PARP1PARP2
SCHEMBL31076359 0.87 EPHA2 (0.51) EPHA2ERBB2EPHB4
SCHEMBL31076404 0.87 EPHA2 (0.45) EPHA2ERBB2EPHB4PARP1PARP2
SCHEMBL1552483 0.86 EPHA2 (0.39) EPHA2ERBB2EPHB4SMN1; SMN2USP2
SCHEMBL31076447 0.86 EPHA2 (0.43) EPHA2ERBB2EPHB4PARP1PARP2

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-1844026-A2 MORPHOLINES AS 5HT2C AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-10-17 EP disclosed
WO-2006077025-A2 MORPHOLINES AS 5HT2C AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-27 WO disclosed