SCHEMBL31076333

SCHEMBL31076333

CC(C)(C)OC(=O)N1CCOC(Cc2ccc(N3CC(CO)C3)c(Cl)c2)C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 4/20 0.41
ERBB2 P04626 1/20 0.41
EPHB4 P54760 1/20 0.41
NR1H2 P55055 1/20 0.38
MAPK8 P45983 1/20 0.38
NR1D1 P20393 2/20 0.37
SLC5A1 P13866 1/20 0.37
SLC5A2 P31639 1/20 0.37
USP30 Q70CQ3 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PARP1 P09874 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
GPR119 Q8TDV5 1/20 0.35

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
SCHEMBL31076433 0.94 EPHA2 (0.42) EPHA2ERBB2EPHB4NR1H2MAPK8
SCHEMBL31076336 0.91 EPHA2 (0.44) EPHA2ERBB2EPHB4MAPK8NR1D1
SCHEMBL31076348 0.89 SMN1; SMN2 (0.44) EPHA2ERBB2EPHB4USP30MEN1
SCHEMBL31076362 0.87 EPHA2 (0.44) EPHA2ERBB2EPHB4MAPK8USP30
SCHEMBL31076430 0.85 EPHA2 (0.44) EPHA2ERBB2EPHB4MAPK8NR1D1
SCHEMBL31076391 0.84 EPHA2 (0.45) EPHA2ERBB2EPHB4MAPK8USP30
SCHEMBL1552945 0.84 EPHA2 (0.44) EPHA2ERBB2EPHB4NR1D1USP30
SCHEMBL1551919 0.84 EPHA2 (0.44) EPHA2ERBB2EPHB4NR1D1USP30
SCHEMBL31076483 0.84 EPHA2 (0.44) EPHA2ERBB2EPHB4NR1D1USP30
SCHEMBL5222897 0.83 EPHA2 (0.44) EPHA2ERBB2EPHB4NR1D1USP30

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-4642778-A1 LSD1 MODULATORS Recursion Pharmaceuticals, Inc. (US) 2025-11-05 EP disclosed
WO-2024141757-A1 LSD1 MODULATORS EXSCIENTIA AI LIMITED (GB) 2024-07-04 WO disclosed