SCHEMBL23213896

SCHEMBL23213896

[CH2]C[C@](C)(O)C1CC(Oc2ccc(F)cc2C2CCN([C@@H]3COC4(C3)CN(c3nnco3)C4)CC2)C1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 5/20 0.48
CHRM1 P11229 5/20 0.48
CHRM2 P08172 1/20 0.38
CHRM5 P08912 1/20 0.38

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
SCHEMBL23212981 0.92 CHRM4 (0.51) CHRM4CHRM1CHRM2CHRM5
SCHEMBL23329060 0.92 CHRM4 (0.51) CHRM4CHRM1CHRM2CHRM5
SCHEMBL29619506 0.92 CHRM4 (0.51) CHRM4CHRM1CHRM2CHRM5
SCHEMBL23212985 0.92 CHRM4 (0.51) CHRM4CHRM1CHRM2CHRM5
SCHEMBL23329061 0.92 CHRM4 (0.51) CHRM4CHRM1CHRM2CHRM5
SCHEMBL23212965 0.87 CHRM4 (0.50) CHRM4CHRM1CHRM2CHRM5
SCHEMBL23230099 0.87 CHRM4 (0.50) CHRM4CHRM1CHRM2CHRM5
SCHEMBL23212963 0.87 CHRM4 (0.50) CHRM4CHRM1CHRM2CHRM5
SCHEMBL23230098 0.87 CHRM4 (0.50) CHRM4CHRM1CHRM2CHRM5
SCHEMBL29619522 0.87 CHRM4 (0.50) CHRM4CHRM1CHRM2CHRM5

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-2021070091-A1 5-OXA-2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS NOVARTIS AG (CH) 2021-04-15 WO disclosed