SCHEMBL29280313

SCHEMBL29280313

c1c2c(c3c(c1C1CCCN1)CCOC3)OCO2

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
PTPRCAP Q14761 1/20 0.33
DYRK1A Q13627 1/20 0.33
CHRM5 P08912 5/20 0.33
CHRM3 P20309 5/20 0.33
CHRM2 P08172 5/20 0.33
CHRM1 P11229 4/20 0.33
CHRM4 P08173 4/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30
BCHE P06276 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
SCHEMBL29280310 1.00 L3MBTL1 (0.37) L3MBTL1PTPRCAPDYRK1ACHRM5CHRM3
SCHEMBL25302799 0.71 L3MBTL1 (0.33) L3MBTL1CHRM5CHRM3CHRM2CHRM1
SCHEMBL25302800 0.71 L3MBTL1 (0.33) L3MBTL1CHRM5CHRM3CHRM2CHRM1
SCHEMBL21451584 0.70 CYP3A4 (0.32)
SCHEMBL30068675 0.69 L3MBTL1 (0.34) L3MBTL1CHRM5CHRM3CHRM2CHRM1
SCHEMBL25838285 0.69 CHRM2 (0.37) L3MBTL1CHRM5CHRM3CHRM2CHRM1
SCHEMBL22040163 0.68 EED (0.48) L3MBTL1CHRM5CHRM3CHRM2CHRM1
SCHEMBL30068946 0.66 CHRM5 (0.40) L3MBTL1CHRM5CHRM3CHRM2CHRM1
SCHEMBL16309083 0.64 L3MBTL1 (0.46) L3MBTL1CHRM5CHRM3CHRM2CHRM1
SCHEMBL29150759 0.64 L3MBTL1 (0.46) L3MBTL1CHRM5CHRM3CHRM2CHRM1

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
CN-111925360-B 1-heterocyclylisochromanyl compounds and analogs for the treatment of CNS disorders 赛诺维信制药公司 2024-03-22 CN disclosed