SCHEMBL21135759

SCHEMBL21135759

CC1CCN(C(=O)OC(C)(C)C)C1C(=O)CC#N

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54
KMT2A Q03164 1/20 0.54
CTSK P43235 3/20 0.41
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
HSD17B10 Q99714 1/20 0.35
UCHL1 P09936 1/20 0.35
GPR119 Q8TDV5 1/20 0.34
HPGD P15428 1/20 0.34
PREP P48147 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DPP4 P27487 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
SCHEMBL28339053 0.83 ALDH1A1 (0.56) MEN1ALDH1A1MAPTKMT2ACTSK
SCHEMBL30987733 0.81 CHRM2 (0.40) MEN1ALDH1A1MAPTKMT2ACTSK
SCHEMBL2737899 0.80 MEN1 (0.51) MEN1ALDH1A1MAPTKMT2ACTSK
SCHEMBL15828463 0.78 MEN1 (0.61) MEN1ALDH1A1MAPTKMT2ACTSK
SCHEMBL18039833 0.78 MEN1 (0.61) MEN1ALDH1A1MAPTKMT2ACTSK
SCHEMBL627415 0.77 HSD17B10 (0.47) CHRM2CHRM1CHRM3HSD17B10GPR119
SCHEMBL6078598 0.77 HSD17B10 (0.47) CHRM2CHRM1CHRM3HSD17B10GPR119
Ethane SCHEMBL4767713 0.77 HSD17B10 (0.47) CHRM2CHRM1CHRM3HSD17B10GPR119
SCHEMBL883031 0.77 HSD17B10 (0.47) CHRM2CHRM1CHRM3HSD17B10GPR119
SCHEMBL12369398 0.77 CHRM2 (0.44) CHRM2CHRM1CHRM3HSD17B10GPR119

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-2019112457-A1 DOPAMINE-Β-HYDROXYLASE INHIBITORS BIAL - PORTELA & Cª, S.A. (PT) 2019-06-13 WO disclosed