SCHEMBL22769540

SCHEMBL22769540

O[C@@H](C1CCCN1)C1c2ccccc2-c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PDCD1LG2 Q9BQ51 2/20 0.38
CD274 Q9NZQ7 2/20 0.38
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37
DHFR P00374 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
SCHEMBL19399365 1.00 SLC6A3 (0.39) SLC6A3SLC6A2SLC6A4HIF1AHSD17B10
SCHEMBL15434633 1.00 SLC6A3 (0.39) SLC6A3SLC6A2SLC6A4HIF1AHSD17B10
SCHEMBL15429687 1.00 SLC6A3 (0.39) SLC6A3SLC6A2SLC6A4HIF1AHSD17B10
SCHEMBL36997213 1.00 SLC6A3 (0.39) SLC6A3SLC6A2SLC6A4HIF1AHSD17B10
SCHEMBL18464579 1.00 SLC6A3 (0.39) SLC6A3SLC6A2SLC6A4HIF1AHSD17B10
SCHEMBL24768202 1.00 SLC6A3 (0.39) SLC6A3SLC6A2SLC6A4HIF1AHSD17B10
SCHEMBL36392634 1.00 SLC6A3 (0.39) SLC6A3SLC6A2SLC6A4HIF1AHSD17B10
SCHEMBL22259843 0.86 NPC1 (0.38) SLC6A3SLC6A2SLC6A4HIF1AHSD17B10
SCHEMBL20833308 0.86 NPC1 (0.38) SLC6A3SLC6A2SLC6A4HIF1AHSD17B10
SCHEMBL22260399 0.77 SCN10A (0.39) SLC6A3SLC6A2SLC6A4HIF1AHSD17B10

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-2872485-B1 ASYMMETRIC AUXILIARY GROUP WAVE LIFE SCIENCES LTD (SG) 2020-12-16 EP disclosed