SCHEMBL29950460

SCHEMBL29950460

O[C@]1(c2cccc(Cl)c2)CCCC[C@@H]1Cc1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.44
OPRM1 P35372 7/20 0.44
SLC6A2 P23975 7/20 0.44
OPRD1 P41143 3/20 0.44
OPRK1 P41145 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TRPA1 O75762 1/20 0.43
SLC22A1 O15245 3/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
SLC6A9 P48067 2/20 0.41
SLC6A3 Q01959 2/20 0.41
OPRL1 P41146 1/20 0.41
SLC6A5 Q9Y345 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CNR2 P34972 1/20 0.41
MAPT P10636 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL28849449 1.00 SLC6A4 (0.44) SLC6A4OPRM1SLC6A2OPRD1OPRK1
SCHEMBL28849440 0.87 TRPA1 (0.48) SLC6A4OPRM1SLC6A2OPRD1OPRK1
SCHEMBL28849438 0.87 MAPT (0.42) SLC6A4OPRM1SLC6A2OPRD1OPRK1
SCHEMBL29950355 0.86 SLC6A2 (0.44) SLC6A4OPRM1SLC6A2OPRD1OPRK1
SCHEMBL28849429 0.86 SLC6A2 (0.46) SLC6A4OPRM1SLC6A2OPRD1OPRK1
SCHEMBL28849414 0.86 SLC6A2 (0.44) SLC6A4OPRM1SLC6A2OPRD1OPRK1
SCHEMBL29950582 0.86 SLC6A2 (0.46) SLC6A4OPRM1SLC6A2OPRD1OPRK1
SCHEMBL28849421 0.84 TRPA1 (0.42) SLC6A4OPRM1SLC6A2OPRD1OPRK1
SCHEMBL28849424 0.84 SLC6A4 (0.63) SLC6A4OPRM1SLC6A2OPRD1OPRK1
SCHEMBL28849415 0.83 SLC6A4 (0.42) SLC6A4OPRM1SLC6A2OPRD1OPRK1

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
CN-115108875-B Nitrogen-containing heteroarene chiral cyclic alcohol constructed by asymmetric catalysis of visible light, and preparation method and application thereof 河南师范大学 2023-07-04 CN disclosed
CN-115108875-A Nitrogen-containing heteroarene chiral cyclic alcohol constructed by visible light asymmetric catalysis, and preparation method and application thereof 河南师范大学 2022-09-27 CN disclosed