SCHEMBL4794077

SCHEMBL4794077

CC(C)n1cc(-c2cccc(C(NC(=O)c3cccc(C(F)(F)F)c3Cl)[C@@H]3CCCN3)c2)cn1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 14/20 0.62
MAPK1 P28482 3/20 0.42
CTSS P25774 3/20 0.41
CTSK P43235 2/20 0.40

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
SCHEMBL4794073 1.00 SLC6A9 (0.62) SLC6A9MAPK1CTSSCTSK
SCHEMBL4794142 0.98 SLC6A9 (0.66) SLC6A9MAPK1CTSSCTSK
SCHEMBL4794146 0.98 SLC6A9 (0.66) SLC6A9MAPK1CTSSCTSK
SCHEMBL4796183 0.92 SLC6A9 (0.65) SLC6A9MAPK1
SCHEMBL4796179 0.92 SLC6A9 (0.65) SLC6A9MAPK1
SCHEMBL4794575 0.89 SLC6A9 (0.69) SLC6A9
SCHEMBL4794579 0.89 SLC6A9 (0.69) SLC6A9
Hydrochloric Acid SCHEMBL4794871 0.89 SLC6A9 (0.68) SLC6A9
Hydrochloric Acid SCHEMBL4794867 0.89 SLC6A9 (0.68) SLC6A9
SCHEMBL4794833 0.88 SLC6A9 (0.64) SLC6A9MAPK1CTSSCTSK

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