SCHEMBL8201840

SCHEMBL8201840

O=C(O)O[C@@H]1CCCN(CCCN2c3ccccc3COc3ccccc32)C1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 1/20 0.48
HRH1 P35367 3/20 0.46
CHRM1 P11229 6/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
DRD2 P14416 1/20 0.46
CHRM3 P20309 1/20 0.46
HTR2A P28223 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
KCNH2 Q12809 1/20 0.46
MCHR1 Q99705 1/20 0.46
HTR7 P34969 1/20 0.45

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
SCHEMBL8203622 0.89 CHRNB2 (0.47) SLC6A1
SCHEMBL8206721 0.88 SLC6A1 (0.61) SLC6A1CHRM1CHRM2CHRM4CHRM5
SCHEMBL8202612 0.88 SLC6A1 (0.61) SLC6A1CHRM1CHRM2CHRM4CHRM5
SCHEMBL8202368 0.87 SLC6A1 (0.57) SLC6A1CHRM1CHRM2CHRM4CHRM5
SCHEMBL8206888 0.86 SLC6A1 (0.61) SLC6A1DRD2HTR7
SCHEMBL7604123 0.85 SLC6A1 (0.63) SLC6A1CHRM1
Hydrochloric Acid SCHEMBL8196530 0.84 SLC6A1 (0.62) SLC6A1
SCHEMBL7472521 0.83 CHRM5 (0.41) HRH1CHRM1CHRM5DRD2HTR2A
SCHEMBL7813228 0.82 CHRNB2 (0.56) SLC6A1
SCHEMBL7815736 0.82 CHRNB2 (0.56) SLC6A1

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
EP-0738262-B1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK AS (DK) 2000-04-19 EP claimed