SCHEMBL28849436

SCHEMBL28849436

COc1ccc([C@@]2(O)CCCC[C@@H]2Cc2ccccn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.47
SLC6A2 P23975 6/20 0.47
OPRM1 P35372 4/20 0.47
SLC22A1 O15245 3/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
SLC6A9 P48067 2/20 0.41
OPRL1 P41146 1/20 0.41
SLC6A5 Q9Y345 1/20 0.41
SYK P43405 2/20 0.41
AURKB Q96GD4 1/20 0.41
INCENP Q9NQS7 1/20 0.41
CNR2 P34972 1/20 0.41
SLC6A3 Q01959 3/20 0.40
TRPM8 Q7Z2W7 2/20 0.40
NPC1 O15118 1/20 0.39

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
SCHEMBL29950442 0.88 SLC6A4 (0.63) SLC6A4SLC6A2OPRM1SLC22A1KMT2A
SCHEMBL28849424 0.88 SLC6A4 (0.63) SLC6A4SLC6A2OPRM1SLC22A1KMT2A
SCHEMBL28849430 0.87 MAPT (0.39) SLC6A4SLC6A2OPRM1SLC22A1KMT2A
SCHEMBL28849438 0.87 MAPT (0.42) SLC6A4SLC6A2OPRM1SLC22A1KMT2A
SCHEMBL28849440 0.85 TRPA1 (0.48) SLC6A4SLC6A2OPRM1KMT2AMEN1
SCHEMBL28849431 0.85 TRPA1 (0.41) SLC6A4SLC6A2OPRM1KMT2AMEN1
SCHEMBL28849437 0.85 MAPT (0.39) SLC6A4SLC6A2OPRM1SLC22A1KMT2A
SCHEMBL29950683 0.84 SLC6A4 (0.49) SLC6A4SLC6A2OPRM1SLC22A1KMT2A
SCHEMBL28849427 0.84 SLC6A4 (0.49) SLC6A4SLC6A2OPRM1SLC22A1KMT2A
SCHEMBL28849415 0.83 SLC6A4 (0.42) SLC6A4SLC6A2OPRM1SLC22A1KMT2A

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