SCHEMBL2056430

SCHEMBL2056430

O=C(N[C@H](c1ccc(S(=O)(=O)CC2CC2)cc1)C1CCCCN1)c1ccc(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 7/20 0.46
SLC6A3 Q01959 4/20 0.41
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 3/20 0.41
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39

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
SCHEMBL2054736 1.00 SLC6A9 (0.46) SLC6A9SLC6A3SLC6A2SLC6A4FLT1
SCHEMBL13618870 1.00 SLC6A9 (0.46) SLC6A9SLC6A3SLC6A2SLC6A4FLT1
SCHEMBL2056435 0.85 NPC1 (0.40) SLC6A9FLT1FLT4KDR
SCHEMBL2054781 0.84 AKT1 (0.46) SLC6A9FLT1FLT4KDR
SCHEMBL2056433 0.81 SLC6A9 (0.51) SLC6A9FLT1FLT4KDR
SCHEMBL2054767 0.80 MEN1 (0.46) SLC6A9FLT1FLT4KDR
SCHEMBL2056369 0.80 SLC6A9 (0.75) SLC6A9
SCHEMBL2056402 0.80 SLC6A9 (0.75) SLC6A9
SCHEMBL2056427 0.79 SLC6A9 (0.51) SLC6A9
SCHEMBL2056423 0.79 SLC6A9 (0.51) 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