SCHEMBL27326165

SCHEMBL27326165

C1CN(Cc2nc(CC3CC3)no2)CCN1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.61
▸ ALDH1A1 P00352 6/20 0.58
▸ MEN1 O00255 4/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ LMNA P02545 3/20 0.56
▸ KDM4E B2RXH2 3/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ POLB P06746 2/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ MAPK1 P28482 1/20 0.42
▸ THRB P10828 1/20 0.42

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
SCHEMBL31532565 0.79 GAA (0.56) GAAALDH1A1MEN1KMT2ALMNA
SCHEMBL25942185 0.77 GAA (0.38) GAAALDH1A1MEN1KMT2ALMNA
SCHEMBL17115087 0.76 CHRM2 (0.39) GAAALDH1A1MEN1KMT2ALMNA
SCHEMBL11918957 0.74 CXCR4 (0.38) GAAALDH1A1LMNA
SCHEMBL16303842 0.73 SMN1; SMN2 (0.42) ALDH1A1LMNAPOLBNPC1RAB9A
SCHEMBL25241729 0.71 GAA (0.47) GAAALDH1A1MEN1KMT2ALMNA
SCHEMBL24799993 0.71 ALDH1A1 (0.52) GAAALDH1A1MEN1KMT2ALMNA
SCHEMBL27325967 0.70 SOS1 (0.41) ALDH1A1LMNAPOLBNPC1RAB9A
SCHEMBL16302793 0.70 SOS1 (0.41) ALDH1A1LMNAPOLBNPC1RAB9A
SCHEMBL38664741 0.68 KDM1A (0.40) GAAALDH1A1KMT2ALMNAKDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024088922-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF MONOACYLGLYCEROL LIPASE (MAGL) F. HOFFMANN-LA ROCHE AG (CH) 2024-05-02 — — WO disclosed
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