SCHEMBL13695347

SCHEMBL13695347

COC(=O)CCC1CCCCN1S(=O)(=O)c1cc(C)c(N)cc1C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
THRB P10828 1/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL13692066 0.88 MAPT (0.42) MAPTTHRBTP53HCRTR1HCRTR2
SCHEMBL2752693 0.88 HCRTR1 (0.53) MAPTTHRBRAB9ANPC1HCRTR1
SCHEMBL13658232 0.79 MAPT (0.45) MAPTTHRBTP53HCRTR1HCRTR2
SCHEMBL2201553 0.78 HCRTR1 (0.49) MAPTTHRBHCRTR1HCRTR2MEN1
SCHEMBL702335 0.75 HCRTR1 (0.53) MAPTTHRBHCRTR1HCRTR2MEN1
SCHEMBL4119314 0.75 HCRTR1 (0.53) MAPTTHRBRAB9AHCRTR1HCRTR2
SCHEMBL5885878 0.73 RAB9A (0.57) RAB9ANCOA1NCOA3
SCHEMBL699956 0.73 NPC1 (0.44) RAB9ANPC1NCOA1NCOA3MEN1
SCHEMBL639201 0.71 NPC1 (0.42) RAB9ANPC1
SCHEMBL14033652 0.71 BDKRB1 (0.55) RAB9ANPC1HCRTR1HCRTR2

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-2009115257-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-09-24 WO disclosed