SCHEMBL29367803

SCHEMBL29367803

CC(C)(C)OC(=O)N1C2CCC1CC(C)(C(=O)O)C2

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.57
CHRM1 P11229 1/20 0.57
CHRM3 P20309 1/20 0.57
PREP P48147 4/20 0.43
HSD11B1 P28845 1/20 0.41
GRM5 P41594 2/20 0.37
HPGD P15428 1/20 0.35
EPHX2 P34913 1/20 0.35
ABCB1 P08183 1/20 0.35
GPR119 Q8TDV5 2/20 0.34
HSD17B10 Q99714 1/20 0.33
JAK1 P23458 1/20 0.33
RECQL P46063 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
SCHEMBL25188952 0.89 CHRM2 (0.58) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL20224852 0.87 CHRM2 (0.60) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL13132892 0.87 CHRM2 (0.60) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL23358166 0.87 CHRM2 (0.60) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL4467476 0.87 CHRM2 (0.60) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL2708315 0.87 CHRM2 (0.60) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL21963949 0.84 CHRM2 (0.54) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL30461660 0.82 CHRM2 (0.42) CHRM2CHRM1CHRM3PREPHPGD
SCHEMBL12979471 0.82 CHRM2 (0.58) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL25203318 0.81 CHRM2 (0.54) CHRM2CHRM1CHRM3PREPHSD11B1

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-114007695-A As AM2Heterocyclic spiro-compounds as receptor inhibitors 谢菲尔德大学 2022-02-01 CN disclosed