SCHEMBL29950355

SCHEMBL29950355

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.44
SLC6A4 P31645 7/20 0.44
OPRM1 P35372 6/20 0.44
OPRD1 P41143 3/20 0.44
OPRK1 P41145 3/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
SLC22A1 O15245 3/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
SLC6A9 P48067 3/20 0.41
TRPA1 O75762 1/20 0.38
MAPT P10636 2/20 0.37
TSHR P16473 1/20 0.37
P2RX7 Q99572 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL28849414 1.00 SLC6A2 (0.44) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL28849431 0.87 TRPA1 (0.41) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL28849438 0.87 MAPT (0.42) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL29950582 0.86 SLC6A2 (0.46) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL28849429 0.86 SLC6A2 (0.46) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL29950460 0.86 SLC6A4 (0.44) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL28849449 0.86 SLC6A4 (0.44) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL29950442 0.84 SLC6A4 (0.63) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL28849424 0.84 SLC6A4 (0.63) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL28849415 0.83 SLC6A4 (0.42) 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