SCHEMBL29619696

SCHEMBL29619696

Fc1ccc(OCc2ccccc2)c(C2CCN(C3COC4(CNC4)C3)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 7/20 0.50
CHRM1 P11229 7/20 0.50
SLC6A2 P23975 8/20 0.49
SLC6A4 P31645 8/20 0.49
SLC6A3 Q01959 8/20 0.49
HTR1A P08908 8/20 0.49
PTGDR2 Q9Y5Y4 2/20 0.41
CHRM2 P08172 2/20 0.40
CHRM5 P08912 1/20 0.40
HTR6 P50406 1/20 0.39
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
HTR7 P34969 1/20 0.35

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
SCHEMBL23213411 1.00 CHRM4 (0.50) CHRM4CHRM1SLC6A2SLC6A4SLC6A3
SCHEMBL23213409 1.00 CHRM4 (0.50) CHRM4CHRM1SLC6A2SLC6A4SLC6A3
SCHEMBL23230076 0.91 HTR1A (0.53) CHRM4CHRM1SLC6A2SLC6A4SLC6A3
SCHEMBL23213301 0.89 CHRM4 (0.47) CHRM4CHRM1SLC6A2SLC6A4SLC6A3
SCHEMBL26781057 0.88 CHRM4 (0.56) CHRM4CHRM1SLC6A2SLC6A4SLC6A3
SCHEMBL23213607 0.87 CHRM4 (0.54) CHRM4CHRM1SLC6A2SLC6A4SLC6A3
SCHEMBL23213495 0.87 CHRM4 (0.63) CHRM4CHRM1SLC6A2SLC6A4SLC6A3
SCHEMBL23213492 0.87 CHRM4 (0.63) CHRM4CHRM1SLC6A2SLC6A4SLC6A3
SCHEMBL23229980 0.86 KDM1A (0.45) CHRM4CHRM1SLC6A2SLC6A4SLC6A3
SCHEMBL23213686 0.84 CHRM4 (0.55) CHRM4CHRM1SLC6A2SLC6A4SLC6A3

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