SCHEMBL31076330

SCHEMBL31076330

CC(C)c1c(Cl)cccc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)OC(C)(C)C)C2

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
REN P00797 1/20 0.40
DRD2 P14416 4/20 0.39
DRD3 P35462 1/20 0.38
CXCR6 O00574 1/20 0.35
SLC18A3 Q16572 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KDM1A O60341 2/20 0.34
MAOB P27338 1/20 0.34
OPRM1 P35372 3/20 0.33
OPRD1 P41143 3/20 0.33

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
SCHEMBL31076435 0.87 KMT2A (0.47) KMT2AL3MBTL1RENDRD2DRD3
SCHEMBL31076440 0.84 KMT2A (0.45) KMT2AL3MBTL1RENDRD2DRD3
SCHEMBL31076457 0.84 KMT2A (0.49) KMT2AL3MBTL1RENDRD2DRD3
SCHEMBL31076350 0.82 KMT2A (0.43) KMT2AL3MBTL1RENDRD2DRD3
SCHEMBL31076540 0.82 KMT2A (0.43) KMT2AL3MBTL1RENDRD2DRD3
SCHEMBL31076438 0.80 KMT2A (0.41) KMT2AL3MBTL1RENDRD2DRD3
SCHEMBL31076377 0.80 L3MBTL1 (0.42) KMT2AL3MBTL1RENDRD2CXCR6
SCHEMBL31076346 0.76 KMT2A (0.49) KMT2AL3MBTL1DRD2DRD3SIGMAR1
SCHEMBL24976021 0.75 L3MBTL1 (0.53) KMT2AL3MBTL1KDM1A
SCHEMBL24975769 0.75 L3MBTL1 (0.53) KMT2AL3MBTL1KDM1A

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