SCHEMBL28538632

SCHEMBL28538632

CC(C)Oc1cccc(N(C(=O)OC2CN3CCC2CC3)C(C)C)c1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 15/20 0.74
CHRM1 P11229 15/20 0.74
CHRM3 P20309 15/20 0.74
CHRM5 P08912 2/20 0.47
CHRM4 P08173 1/20 0.47
TSHR P16473 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
ALDH1A1 P00352 1/20 0.45
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL28538595 0.92 CHRM2 (0.74) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL28702389 0.82 CHRM2 (0.60) CHRM2CHRM1CHRM3TSHRRXFP1
SCHEMBL28644233 0.79 CHRM3 (0.87) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL28541415 0.79 CHRM2 (0.78) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL28527169 0.79 CHRM2 (0.78) CHRM2CHRM1CHRM3TSHRRXFP1
SCHEMBL28532845 0.77 CHRM3 (0.71) CHRM2CHRM1CHRM3
SCHEMBL28547261 0.77 CHRM2 (0.75) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL28537600 0.77 CHRM3 (0.75) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL28537710 0.76 CHRM2 (0.60) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL12615363 0.74 ALDH1A1 (0.53) CHRM3ALDH1A1

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-107080747-B Glucosylceramide synthase inhibitors 建新公司 2021-02-26 CN disclosed