SCHEMBL23588192

SCHEMBL23588192

C=C(C(=O)O)C1(c2nc(C)no2)CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
HSD11B1 P28845 1/20 0.32
GSTP1 P09211 2/20 0.30
FABP4 P15090 1/20 0.30
FABP5 Q01469 1/20 0.30

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
SCHEMBL23588266 0.80 CHRM2 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL23588347 0.69 THRB (0.38) GSTP1
SCHEMBL22629017 0.69 KDM1A (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
Oxalic Acid SCHEMBL9050722 0.68 CHRM2 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL22395041 0.68 CHRM2 (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL23588245 0.67 THRB (0.41)
SCHEMBL22629019 0.67 HSD11B1 (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3
Oxalic Acid SCHEMBL8790622 0.66 HSD11B1 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL22347897 0.66 HSD11B1 (0.43) CHRM2HSD11B1
Oxalic Acid SCHEMBL9051385 0.64 HSD11B1 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021130492-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMMATORY PROPERTIES SITRYX THERAPEUTICS LIMITED (GB) 2021-07-01 WO disclosed