SCHEMBL29619681

SCHEMBL29619681

Fc1ccc(C2CCN([C@@H]3COC4(CNC4)C3)CC2)c(OC2COC2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 7/20 0.56
CHRM1 P11229 7/20 0.56
CHRM2 P08172 3/20 0.39
CHRM5 P08912 1/20 0.39
DRD2 P14416 4/20 0.33
ADRA1D P25100 3/20 0.33
ADRA1A P35348 3/20 0.33
ADRA1B P35368 3/20 0.33
AKR1A1 P14550 1/20 0.33
AKR1B1 P15121 1/20 0.33
SLC6A4 P31645 5/20 0.33
OPRM1 P35372 2/20 0.32
OPRL1 P41146 2/20 0.32
OPRK1 P41145 1/20 0.32
HTR1A P08908 3/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A3 Q01959 2/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32

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
SCHEMBL23212986 1.00 CHRM4 (0.56) CHRM4CHRM1CHRM2CHRM5DRD2
SCHEMBL23212991 1.00 CHRM4 (0.56) CHRM4CHRM1CHRM2CHRM5DRD2
SCHEMBL23213232 0.92 CHRM4 (0.56) CHRM4CHRM1CHRM2CHRM5DRD2
SCHEMBL23213231 0.92 CHRM4 (0.56) CHRM4CHRM1CHRM2CHRM5DRD2
SCHEMBL23213255 0.89 CHRM4 (0.54) CHRM4CHRM1CHRM2CHRM5DRD2
SCHEMBL23213257 0.89 CHRM4 (0.54) CHRM4CHRM1CHRM2CHRM5DRD2
SCHEMBL23212967 0.88 CHRM4 (0.44) CHRM4CHRM1CHRM2CHRM5DRD2
SCHEMBL23212964 0.88 CHRM4 (0.44) CHRM4CHRM1CHRM2CHRM5DRD2
SCHEMBL23213542 0.88 CHRM4 (0.68) CHRM4CHRM1CHRM2CHRM5DRD2
SCHEMBL29619693 0.88 CHRM4 (0.44) CHRM4CHRM1CHRM2CHRM5DRD2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119390705-A 5-Oxa-2-azaspiro [3.4] octane derivatives as M4 agonists 诺华股份有限公司 2025-02-07 CN disclosed
CN-114555606-B 5-Oxa-2-azaspiro [3.4] octane derivatives as M4 agonists 诺华股份有限公司 2024-10-01 CN disclosed
CN-114555606-A 5-oxa-2-azaspiro [3.4] octane derivatives as M4 agonists 诺华股份有限公司 2022-05-27 CN disclosed