SCHEMBL31733073

SCHEMBL31733073

COC(=O)C1(C(=O)N2CC3(CCOCC3)C2)CC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 17/20 0.38
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
PKM P14618 1/20 0.35
CYP2C19 P33261 1/20 0.35
BTD P43251 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 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
SCHEMBL22720076 0.81 GAA (0.47) CYP3A4PKMCYP2C19
SCHEMBL31733041 0.80 HDAC2 (0.37) VNN1CYP3A4CYP2C9CYP2C19HDAC2
SCHEMBL18517456 0.78 CYP3A4 (0.46) VNN1CYP3A4CYP2C9CYP2C19HDAC1
SCHEMBL31733069 0.76 CYP3A4 (0.44) CYP3A4PKMCYP2C19
SCHEMBL2031559 0.74 CYP3A4 (0.44) CYP3A4CYP2C9PKMCYP2C19
SCHEMBL31733225 0.72 CHRNB2 (0.35)
SCHEMBL31733190 0.72 PLAT (0.33) CYP3A4
SCHEMBL951610 0.72 PSEN1 (0.40)
SCHEMBL31085608 0.71 PSEN1 (0.40) VNN1CYP3A4CYP2C9CYP2C19
SCHEMBL18478134 0.71 SMN1; SMN2 (0.50) VNN1CYP3A4CYP2C9CYP2C19

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-2025236100-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2025-11-20 WO disclosed