SCHEMBL31076359

SCHEMBL31076359

COc1ccc(CC2CN(C(=O)OC(C)(C)C)CCO2)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 4/20 0.51
ERBB2 P04626 1/20 0.51
EPHB4 P54760 1/20 0.51
PDE4B Q07343 2/20 0.46
DRD4 P21917 8/20 0.45
NR1H4 Q96RI1 1/20 0.41
DRD2 P14416 1/20 0.40

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
SCHEMBL1551985 0.91 EPHA2 (0.47) EPHA2ERBB2EPHB4PDE4BNR1H4
SCHEMBL1552682 0.89 EPHA2 (0.50) EPHA2ERBB2EPHB4PDE4BNR1H4
SCHEMBL1552680 0.89 EPHA2 (0.50) EPHA2ERBB2EPHB4PDE4BNR1H4
SCHEMBL1552605 0.89 EPHA2 (0.46) EPHA2ERBB2EPHB4PDE4BNR1H4
SCHEMBL1551943 0.89 EPHA2 (0.46) EPHA2ERBB2EPHB4PDE4BNR1H4
SCHEMBL1552522 0.88 EPHA2 (0.47) EPHA2ERBB2EPHB4PDE4BDRD4
SCHEMBL27715197 0.88 EPHA2 (0.47) EPHA2ERBB2EPHB4PDE4BDRD4
SCHEMBL1551919 0.88 EPHA2 (0.44) EPHA2ERBB2EPHB4
SCHEMBL1552945 0.88 EPHA2 (0.44) EPHA2ERBB2EPHB4
SCHEMBL31076483 0.88 EPHA2 (0.44) EPHA2ERBB2EPHB4

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