SCHEMBL4775949

SCHEMBL4775949

O=C(N[C@@H](c1cccc(-c2cccnc2)c1)[C@@H]1CCCCN1)c1nccc(C(F)(F)F)c1Cl

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 4/20 0.56
MAPK1 P28482 5/20 0.40
DYRK1A Q13627 7/20 0.37
WNT1 P04628 4/20 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
SCHEMBL4775947 1.00 SLC6A9 (0.56) SLC6A9MAPK1DYRK1AWNT1
SCHEMBL4775946 1.00 SLC6A9 (0.56) SLC6A9MAPK1DYRK1AWNT1
Hydrochloric Acid SCHEMBL4776026 0.99 SLC6A9 (0.55) SLC6A9MAPK1DYRK1AWNT1
Hydrochloric Acid SCHEMBL4776030 0.99 SLC6A9 (0.55) SLC6A9MAPK1DYRK1AWNT1
Hydrochloric Acid SCHEMBL4776025 0.99 SLC6A9 (0.55) SLC6A9MAPK1DYRK1AWNT1
SCHEMBL4726434 0.94 SLC6A9 (0.57) SLC6A9MAPK1
SCHEMBL4726432 0.94 SLC6A9 (0.57) SLC6A9MAPK1
SCHEMBL4726423 0.94 SLC6A9 (0.57) SLC6A9MAPK1
Hydrochloric Acid SCHEMBL4776232 0.94 SLC6A9 (0.56) SLC6A9MAPK1
Hydrochloric Acid SCHEMBL4776228 0.94 SLC6A9 (0.56) SLC6A9MAPK1

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