SCHEMBL31076346

SCHEMBL31076346

CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(Br)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MEN1 O00255 1/20 0.38
SIGMAR1 Q99720 1/20 0.36
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
ARG1 P05089 1/20 0.35
ARG2 P78540 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
CCR3 P51677 1/20 0.35
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34

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
SCHEMBL31076278 0.87 KMT2A (0.48) KMT2AL3MBTL1MEN1SLC6A4SLC6A3
SCHEMBL31076459 0.83 KMT2A (0.44) KMT2AL3MBTL1MEN1SLC6A4SLC6A3
SCHEMBL24977220 0.83 L3MBTL1 (0.53) KMT2AL3MBTL1MEN1SLC6A4
SCHEMBL24975769 0.83 L3MBTL1 (0.53) KMT2AL3MBTL1MEN1SLC6A4
SCHEMBL24976021 0.83 L3MBTL1 (0.53) KMT2AL3MBTL1MEN1SLC6A4
SCHEMBL31076412 0.81 CYP2D6 (0.43) KMT2AL3MBTL1ARG1ARG2CCR3
SCHEMBL31076435 0.81 KMT2A (0.47) KMT2AL3MBTL1SLC6A3DRD2DRD3
SCHEMBL31076450 0.80 KMT2A (0.44) KMT2AL3MBTL1MEN1DRD2DRD3
SCHEMBL31076508 0.79 KMT2A (0.42) KMT2AL3MBTL1MEN1SLC6A4SLC6A3
SCHEMBL31076330 0.76 KMT2A (0.46) KMT2AL3MBTL1SIGMAR1SLC6A3DRD2

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