SCHEMBL4776066

SCHEMBL4776066

O[C@@H](c1cccc(Br)c1)[C@@H]1CCCCN1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.60
HSD17B10 Q99714 1/20 0.60
SLC6A3 Q01959 2/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47

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
SCHEMBL4776070 1.00 HIF1A (0.60) HIF1AHSD17B10SLC6A3SLC6A2SLC6A4
SCHEMBL3179208 0.83 HIF1A (0.66) HIF1AHSD17B10SLC6A3SLC6A2SLC6A4
SCHEMBL28886331 0.82 SLC6A3 (0.58) SLC6A3SLC6A2SLC6A4
SCHEMBL3442705 0.82 HIF1A (0.60) HIF1AHSD17B10SLC6A3SLC6A2SLC6A4
SCHEMBL20828152 0.82 SLC6A2 (0.64) HIF1AHSD17B10SLC6A3SLC6A2SLC6A4
SCHEMBL3179287 0.82 SLC6A2 (0.64) HIF1AHSD17B10SLC6A3SLC6A2SLC6A4
SCHEMBL3184955 0.82 HIF1A (0.60) HIF1AHSD17B10SLC6A3SLC6A2SLC6A4
SCHEMBL3174744 0.81 HIF1A (0.62) HIF1AHSD17B10SLC6A3SLC6A2SLC6A4
SCHEMBL1794708 0.80 SLC6A3 (0.62) HIF1AHSD17B10SLC6A3SLC6A2SLC6A4
SCHEMBL1533285 0.80 SLC6A3 (0.62) HIF1AHSD17B10SLC6A3SLC6A2SLC6A4

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