SCHEMBL4781820

SCHEMBL4781820

COc1cccc([C@H](O)[C@@H]2CCCCN2)c1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.67
SLC6A2 P23975 2/20 0.67
SLC6A4 P31645 2/20 0.67
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
HIF1A Q16665 1/20 0.56
HSD17B10 Q99714 1/20 0.56

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
SCHEMBL4781823 1.00 SLC6A3 (0.67) SLC6A3SLC6A2SLC6A4MEN1KMT2A
SCHEMBL3182249 1.00 SLC6A3 (0.67) SLC6A3SLC6A2SLC6A4MEN1KMT2A
SCHEMBL3180497 0.82 SLC6A3 (0.64) SLC6A3SLC6A2SLC6A4MEN1KMT2A
SCHEMBL3184955 0.81 HIF1A (0.60) SLC6A3SLC6A2SLC6A4HIF1AHSD17B10
SCHEMBL28321870 0.81 MEN1 (0.53) SLC6A3SLC6A2SLC6A4MEN1KMT2A
Hydrochloric Acid SCHEMBL20482078 0.80 MEN1 (0.56) SLC6A3SLC6A2SLC6A4MEN1KMT2A
Hydrochloric Acid SCHEMBL20482079 0.80 MEN1 (0.56) SLC6A3SLC6A2SLC6A4MEN1KMT2A
SCHEMBL3179208 0.80 HIF1A (0.66) SLC6A3SLC6A2SLC6A4HIF1AHSD17B10
SCHEMBL20828152 0.78 SLC6A2 (0.64) SLC6A3SLC6A2SLC6A4HIF1AHSD17B10
SCHEMBL3179287 0.78 SLC6A2 (0.64) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008018639-A2 GLYCINE TRANSPORTER INHIBITOR TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-02-14 WO disclosed
WO-2008018639-A2 GLYCINE TRANSPORTER INHIBITOR TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-02-14 WO disclosed