SCHEMBL29619736

SCHEMBL29619736

O=C(NO)N1CC2(C[C@H](N3CCC(c4cc(F)ccc4OC4CC5(COC5)C4)CC3)CO2)C1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 11/20 0.65
CHRM1 P11229 9/20 0.65
CHRM2 P08172 3/20 0.54
CHRM5 P08912 1/20 0.54
ATR Q13535 1/20 0.33
RAF1 P04049 2/20 0.32
BRAF P15056 2/20 0.32
DRD2 P14416 2/20 0.32
ADRA1D P25100 2/20 0.32
ADRA1A P35348 2/20 0.32
ADRA1B P35368 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
ADAM10 O14672 1/20 0.31
HDAC3 O15379 1/20 0.31

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
SCHEMBL29619721 0.93 CHRM4 (0.68) CHRM4CHRM1CHRM2CHRM5ATR
SCHEMBL23213342 0.91 CHRM4 (0.59) CHRM4CHRM1CHRM2CHRM5ATR
SCHEMBL23213347 0.91 CHRM4 (0.59) CHRM4CHRM1CHRM2CHRM5ATR
SCHEMBL26781253 0.87 CHRM4 (0.63) CHRM4CHRM1CHRM2CHRM5CCNT1
SCHEMBL23213345 0.86 CHRM4 (0.59) CHRM4CHRM1CHRM2CHRM5DRD2
SCHEMBL23213429 0.84 CHRM4 (0.55) CHRM4CHRM1CHRM2CHRM5DRD2
SCHEMBL23213430 0.84 CHRM4 (0.55) CHRM4CHRM1CHRM2CHRM5DRD2
SCHEMBL23213199 0.83 CHRM4 (0.68) CHRM4CHRM1CHRM2CHRM5ATR
SCHEMBL23213103 0.83 CHRM4 (0.54) CHRM4CHRM1CHRM2CHRM5DRD2
SCHEMBL23213201 0.83 CHRM4 (0.68) CHRM4CHRM1CHRM2CHRM5ATR

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