SCHEMBL29112685

SCHEMBL29112685

CC(C)(C)N1CCC(O)(COC(N)=O)C1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.38
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALOX15 P16050 2/20 0.31
CTNNB1 P35222 1/20 0.31
MMP9 P14780 1/20 0.30
MMP13 P45452 1/20 0.30
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
OPRM1 P35372 1/20 0.30
GRIN1 Q05586 1/20 0.30
KCNH2 Q12809 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 1/20 0.30

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
SCHEMBL29112691 0.90 ATM (0.40) ATMLMNAHSD17B10ALOX15CTNNB1
SCHEMBL23277774 0.78 GRIN2D (0.38) ATMMMP9MMP13GRIN2DGRIN3B
SCHEMBL16554027 0.73 GRIN2D (0.32) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL8260601 0.73 GRIN2D (0.32) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL29052965 0.72
SCHEMBL28777494 0.70 ATM (0.40) ATMGRIN2DGRIN3BCHRM2CHRM1
SCHEMBL8259117 0.69 S1PR2 (0.34) ALOX15GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL23559407 0.69 GRIN2D (0.30) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL5141846 0.67 GRIN2D (0.41) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL24004321 0.66 GRIN2D (0.40) ATMMMP9MMP13GRIN2DGRIN3B

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
CN-111848577-B N- (hetero) aryl-substituted heterocyclic derivatives useful in the treatment of diseases or conditions associated with the central nervous system 克罗诺斯治疗有限公司 2023-09-01 CN disclosed