SCHEMBL23213516

SCHEMBL23213516

CC(C)(C)OC(=O)N1CC2(C[C@H](N3CCC(c4cc(F)ccc4C4=CCC(O)CC4)CC3)CO2)C1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 6/20 0.53
CHRM1 P11229 6/20 0.53
CHRM2 P08172 2/20 0.40
CHRM5 P08912 1/20 0.40
CCNT1 O60563 4/20 0.36
CDK9 P50750 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
GPR119 Q8TDV5 3/20 0.33
HRH3 Q9Y5N1 1/20 0.33
RORC P51449 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
ALK Q9UM73 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
SCHEMBL29903276 1.00 CHRM4 (0.53) CHRM4CHRM1CHRM2CHRM5CCNT1
SCHEMBL29871426 0.96 CHRM4 (0.49) CHRM4CHRM1CHRM2CHRM5CCNT1
SCHEMBL29871908 0.94 CHRM4 (0.47) CHRM4CHRM1CHRM2CHRM5CCNT1
SCHEMBL29619699 0.90 CHRM4 (0.50) CHRM4CHRM1CHRM2CHRM5CCNT1
SCHEMBL23213464 0.88 CHRM4 (0.53) CHRM4CHRM1CHRM2CHRM5CDK9
SCHEMBL27210394 0.88 CHRM4 (0.53) CHRM4CHRM1CHRM2CHRM5CDK9
SCHEMBL29619692 0.88 CHRM4 (0.54) CHRM4CHRM1CHRM2CHRM5CCNT1
SCHEMBL23213017 0.88 CHRM4 (0.56) CHRM4CHRM1CHRM2CHRM5CCNT1
SCHEMBL23213412 0.86 CHRM4 (0.58) CHRM4CHRM1CHRM2CHRM5CCNT1
SCHEMBL29871398 0.84 CHRM4 (0.51) CHRM4CHRM1CHRM2CHRM5CCNT1

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 4 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
WO-2021070091-A1 5-OXA-2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS NOVARTIS AG (CH) 2021-04-15 WO disclosed