SCHEMBL2056445

SCHEMBL2056445

O=C(NC(c1ccc(S(=O)(=O)CC2CC2)cc1)[C@H]1CCCN1)c1ccc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.48
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
MAPK1 P28482 4/20 0.40
TRPV4 Q9HBA0 1/20 0.38
RORC P51449 2/20 0.38
AVPR2 P30518 1/20 0.38
GPR27 Q9NS67 1/20 0.38
PDE2A O00408 3/20 0.36
GPR88 Q9GZN0 1/20 0.35
PSMB11 A5LHX3 1/20 0.35
PSMA7 O14818 1/20 0.35
PSMB1 P20618 1/20 0.35
PSMA1 P25786 1/20 0.35
PSMA2 P25787 1/20 0.35
PSMA3 P25788 1/20 0.35
PSMA4 P25789 1/20 0.35
PSMB8 P28062 1/20 0.35
PSMB9 P28065 1/20 0.35

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
SCHEMBL2056425 1.00 SLC6A9 (0.48) SLC6A9FLT1FLT4KDRMAPK1
SCHEMBL2056444 1.00 SLC6A9 (0.48) SLC6A9FLT1FLT4KDRMAPK1
SCHEMBL2056433 0.97 SLC6A9 (0.51) SLC6A9FLT1FLT4KDRMAPK1
SCHEMBL10232955 0.93 SLC6A9 (0.48) SLC6A9MAPK1RORCPDE2AGPR88
SCHEMBL10234061 0.93 SLC6A9 (0.48) SLC6A9MAPK1RORCPDE2AGPR88
SCHEMBL10234212 0.93 SLC6A9 (0.48) SLC6A9MAPK1RORCPDE2AGPR88
SCHEMBL2056427 0.91 SLC6A9 (0.51) SLC6A9MAPK1RORCPDE2APSMB11
SCHEMBL2056423 0.91 SLC6A9 (0.51) SLC6A9MAPK1RORCPDE2APSMB11
SCHEMBL2056422 0.84 SLC6A9 (0.70) SLC6A9
SCHEMBL2056353 0.84 SLC6A9 (0.70) SLC6A9

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
US-8163956-B2 Inhibitors of GLYT1 transporters MERCK SHARP & DOHME CORP. (US) 2012-04-24 US disclosed