SCHEMBL14403276

SCHEMBL14403276

COC(=O)C1=C(c2ccccc2)CN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.50
CHRM4 P08173 2/20 0.50
CHRM5 P08912 2/20 0.50
CHRM1 P11229 2/20 0.50
CHRM3 P20309 2/20 0.50
NR1H2 P55055 2/20 0.49
SLC6A2 P23975 2/20 0.49
SLC6A4 P31645 1/20 0.49
SLC6A3 Q01959 1/20 0.49
ESR2 Q92731 1/20 0.45
MAPK1 P28482 1/20 0.44
NAMPT P43490 1/20 0.43
GPR119 Q8TDV5 1/20 0.43
UCHL1 P09936 1/20 0.42
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
USP30 Q70CQ3 3/20 0.41

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
SCHEMBL6418231 0.90 CHRM5 (0.59) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1751873 0.89 ESR2 (0.48) NR1H2ESR2MAPK1NAMPTGPR119
SCHEMBL8261717 0.83 CHRM2 (0.51) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL951850 0.81 ESR2 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8264279 0.80 CHRM2 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1750511 0.80 ESR2 (0.53) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8264324 0.80 CHRM5 (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1751366 0.79 GPR119 (0.45) MAPK1NAMPTGPR119CKS1BSKP1
SCHEMBL16049290 0.79 ESR2 (0.46) CHRM2CHRM4CHRM1CHRM3NR1H2
SCHEMBL25020099 0.79 NR1H2 (0.51) NR1H2ESR2MAPK1NAMPTKDM4E

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-2007113155-A1 PROCESS FOR PREPARATION OF ENANTIOMERICALLY ENRICHED CYCLIC Β-ARYL OR HETEROARYL CARBOXYLIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2007-10-11 WO disclosed