SCHEMBL28849438

SCHEMBL28849438

O[C@]1(c2ccccc2)CCCC[C@@H]1Cc1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
SLC6A2 P23975 9/20 0.41
SLC6A4 P31645 9/20 0.41
OPRM1 P35372 7/20 0.41
OPRD1 P41143 3/20 0.41
OPRK1 P41145 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CNR2 P34972 1/20 0.41
TRPA1 O75762 1/20 0.41
SLC22A1 O15245 3/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
RECQL P46063 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL28849431 0.90 TRPA1 (0.41) MAPTSLC6A2SLC6A4OPRM1OPRD1
SCHEMBL28849437 0.90 MAPT (0.39) MAPTSLC6A2SLC6A4OPRM1OPRD1
SCHEMBL28849430 0.90 MAPT (0.39) MAPTSLC6A2SLC6A4OPRM1OPRD1
SCHEMBL28849440 0.90 TRPA1 (0.48) MAPTSLC6A2SLC6A4OPRM1OPRD1
SCHEMBL28849449 0.87 SLC6A4 (0.44) MAPTSLC6A2SLC6A4OPRM1OPRD1
SCHEMBL28849414 0.87 SLC6A2 (0.44) MAPTSLC6A2SLC6A4OPRM1OPRD1
SCHEMBL28849429 0.87 SLC6A2 (0.46) MAPTSLC6A2SLC6A4OPRM1OPRD1
SCHEMBL29950582 0.87 SLC6A2 (0.46) MAPTSLC6A2SLC6A4OPRM1OPRD1
SCHEMBL29950355 0.87 SLC6A2 (0.44) MAPTSLC6A2SLC6A4OPRM1OPRD1
SCHEMBL28849436 0.87 SLC6A4 (0.47) SLC6A2SLC6A4OPRM1OPRD1OPRK1

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