SCHEMBL31076358

SCHEMBL31076358

CC(C)(C)OC(=O)N1CCOC(Cc2ccc(C3CCCO3)c(Cl)c2)C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 4/20 0.41
ERBB2 P04626 1/20 0.41
EPHB4 P54760 1/20 0.41
CNR1 P21554 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
OPRK1 P41145 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
USP30 Q70CQ3 2/20 0.37
STS P08842 1/20 0.37
PDE4B Q07343 1/20 0.36
NR1D1 P20393 1/20 0.36
PARP1 P09874 1/20 0.36
PARP2 Q9UGN5 1/20 0.36

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
SCHEMBL31076447 0.89 EPHA2 (0.43) EPHA2ERBB2EPHB4CNR1OPRK1
SCHEMBL31076399 0.86 EPHA2 (0.41) EPHA2ERBB2EPHB4CNR1OPRK1
SCHEMBL31076491 0.85 EPHA2 (0.42) EPHA2ERBB2EPHB4CNR1MEN1
SCHEMBL1552945 0.83 EPHA2 (0.44) EPHA2ERBB2EPHB4MEN1KMT2A
SCHEMBL31076483 0.83 EPHA2 (0.44) EPHA2ERBB2EPHB4MEN1KMT2A
SCHEMBL1551919 0.83 EPHA2 (0.44) EPHA2ERBB2EPHB4MEN1KMT2A
SCHEMBL5222897 0.82 EPHA2 (0.44) EPHA2ERBB2EPHB4MEN1KMT2A
SCHEMBL31076404 0.82 EPHA2 (0.45) EPHA2ERBB2EPHB4MEN1KMT2A
SCHEMBL31076359 0.82 EPHA2 (0.51) EPHA2ERBB2EPHB4PDE4B
SCHEMBL31076348 0.81 SMN1; SMN2 (0.44) EPHA2ERBB2EPHB4MEN1KMT2A

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