SCHEMBL23213607

SCHEMBL23213607

CC(C)(C)OC(=O)N1CC2(CC(N3CCC(c4cc(F)ccc4OCc4ccccc4)CC3)CO2)C1.Fc1ccc(OCc2ccccc2)c(C2CCN(C3COC4(CNC4)C3)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 9/20 0.54
CHRM1 P11229 9/20 0.54
CHRM2 P08172 3/20 0.42
CHRM5 P08912 1/20 0.42
HTR1A P08908 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CCNT1 O60563 3/20 0.38
CDK9 P50750 3/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 1/20 0.37
PRMT5 O14744 2/20 0.36
GAA P10253 1/20 0.36
THRB P10828 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 1/20 0.35
YAP1 P46937 1/20 0.34

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
SCHEMBL23230129 0.96 CHRM4 (0.58) CHRM4CHRM1CHRM2CHRM5HTR1A
SCHEMBL23295184 0.96 CHRM4 (0.58) CHRM4CHRM1CHRM2CHRM5HTR1A
SCHEMBL23213277 0.92 CHRM4 (0.55) CHRM4CHRM1CHRM2CHRM5HTR1A
SCHEMBL29871416 0.92 CHRM4 (0.55) CHRM4CHRM1CHRM2CHRM5HTR1A
SCHEMBL23230138 0.90 CHRM4 (0.58) CHRM4CHRM1CHRM2CHRM5CCNT1
SCHEMBL23329016 0.88 CHRM4 (0.58) CHRM4CHRM1CHRM2HTR1ASLC6A2
SCHEMBL23328740 0.88 CHRM4 (0.49) CHRM4CHRM1CHRM2CHRM5CCNT1
SCHEMBL23213411 0.87 CHRM4 (0.50) CHRM4CHRM1CHRM2CHRM5HTR1A
SCHEMBL23213409 0.87 CHRM4 (0.50) CHRM4CHRM1CHRM2CHRM5HTR1A
SCHEMBL29619696 0.87 CHRM4 (0.50) CHRM4CHRM1CHRM2CHRM5HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4041737-A1 5-OXA-2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS Novartis AG (CH) 2022-08-17 EP disclosed
WO-2021070091-A1 5-OXA-2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS NOVARTIS AG (CH) 2021-04-15 WO disclosed