SCHEMBL27469804

SCHEMBL27469804

CNC(C)C(=O)N1CCC2(CC1)CC2

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 6/20 0.44
▸ CYP1A2 P05177 4/20 0.44
▸ CYP2D6 P10635 6/20 0.42
▸ CYP2C19 P33261 3/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ CYP3A4 P08684 7/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ USP2 O75604 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
SCHEMBL18205166 0.81 CYP2C9 (0.45) CYP2C9CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL27256861 0.80 CYP1A2 (0.44) CYP2C9CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL21028193 0.79 CYP1A2 (0.44) CYP2C9CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL17287129 0.79 MMP1 (0.41) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL13866419 0.78 MMP1 (0.44) ALDH1A1TSHR
SCHEMBL12460865 0.77 RAB9A (0.42) ALDH1A1SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL27269464 0.76 CYP1A2 (0.42) CYP2C9CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL27269524 0.76 CYP1A2 (0.42) CYP2C9CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL18212467 0.75 CYP1A2 (0.43) CYP2C9CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL27469778 0.75 CYP1A2 (0.43) CYP2C9CYP1A2CYP2D6CYP2C19ALDH1A1

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-2024108147-A1 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2024-05-23 — — WO disclosed
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