SCHEMBL23212934

SCHEMBL23212934

C[C](C)CC1(O)CCC(c2ccccc2C2CCN([C@@H]3CCC4(CNC4)C3)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 9/20 0.48
CHRM1 P11229 7/20 0.48
CHRM2 P08172 3/20 0.42
CHRM5 P08912 1/20 0.33
OPRM1 P35372 2/20 0.32
OPRL1 P41146 2/20 0.32
SLC2A1 P11166 1/20 0.31
SLC18A3 Q16572 1/20 0.30
P2RX7 Q99572 1/20 0.30

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
SCHEMBL23210301 0.82 CHRM4 (0.47) CHRM4CHRM1CHRM2CHRM5SLC2A1
SCHEMBL23210299 0.82 CHRM4 (0.47) CHRM4CHRM1CHRM2CHRM5SLC2A1
SCHEMBL23209986 0.79 CHRM4 (0.47) CHRM4CHRM1CHRM2CHRM5SLC2A1
SCHEMBL23209984 0.79 CHRM4 (0.47) CHRM4CHRM1CHRM2CHRM5SLC2A1
SCHEMBL23210039 0.78 CHRM4 (0.45) CHRM4CHRM1CHRM2CHRM5OPRL1
SCHEMBL29843914 0.78 CHRM4 (0.45) CHRM4CHRM1CHRM2CHRM5OPRL1
SCHEMBL23210043 0.78 CHRM4 (0.45) CHRM4CHRM1CHRM2CHRM5OPRL1
SCHEMBL23209832 0.77 CHRM4 (0.61) CHRM4CHRM1CHRM2CHRM5
SCHEMBL23209831 0.77 CHRM4 (0.61) CHRM4CHRM1CHRM2CHRM5
SCHEMBL29691248 0.77 CHRM4 (0.61) 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-2021070090-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS NOVARTIS AG (CH) 2021-04-15 WO disclosed