SCHEMBL22077640

SCHEMBL22077640

CC(C)(C)OC(=O)N1CC2CCC1CC(C=O)C2

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
HSD11B1 P28845 2/20 0.36
PREP P48147 3/20 0.35
NR1H2 P55055 1/20 0.35
CCR2 P41597 1/20 0.34
F13A1 P00488 1/20 0.34
TGM2 P21980 1/20 0.34
TGM1 P22735 1/20 0.34
AR P10275 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL12842007 0.87 CHRM2 (0.51) CHRM2CHRM1CHRM3HSD11B1PREP
SCHEMBL13964499 0.87 CHRM2 (0.51) CHRM2CHRM1CHRM3HSD11B1PREP
SCHEMBL12526945 0.87 CHRM2 (0.51) CHRM2CHRM1CHRM3HSD11B1PREP
SCHEMBL22054238 0.81 CHRM2 (0.62) CHRM2CHRM1CHRM3HSD11B1PREP
SCHEMBL25942989 0.81 CHRM2 (0.62) CHRM2CHRM1CHRM3HSD11B1PREP
SCHEMBL24716574 0.80 CHRM2 (0.50) CHRM2CHRM1CHRM3HSD11B1PREP
SCHEMBL25892541 0.80 CHRM2 (0.45) CHRM2CHRM1CHRM3HSD11B1PREP
SCHEMBL5100405 0.79 CHRM2 (0.68) CHRM2CHRM1CHRM3HSD11B1PREP
SCHEMBL14098541 0.79 CHRM2 (0.68) CHRM2CHRM1CHRM3HSD11B1PREP
SCHEMBL5100393 0.79 CHRM2 (0.68) CHRM2CHRM1CHRM3HSD11B1PREP

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-2020115506-A1 QUINOLINONE AND BENZOXAZINE DERIVATIVES AS MUSCARINIC M1 AND/OR M4 RECEPTOR AGONISTS HEPTARES THERAPEUTICS LIMITED (GB) 2020-06-11 WO disclosed