SCHEMBL5301476

SCHEMBL5301476

NC(CO)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 2/20 0.50
SLC47A1 Q96FL8 2/20 0.50
MAPT P10636 1/20 0.48
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
DPP4 P27487 4/20 0.38
GRIN2D O15399 3/20 0.37
GRIN3B O60391 3/20 0.37
GRIN1 Q05586 3/20 0.37
GRIN2A Q12879 3/20 0.37
GRIN2B Q13224 3/20 0.37
GRIN2C Q14957 3/20 0.37
GRIN3A Q8TCU5 3/20 0.37
ALOX15 P16050 1/20 0.36
LMNA P02545 2/20 0.36
SLC22A1 O15245 1/20 0.36

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
SCHEMBL4946866 1.00 SLC22A2 (0.50) SLC22A2SLC47A1MAPTKMT2AMEN1
SCHEMBL2536293 0.82 SLC22A2 (0.46) SLC22A2SLC47A1MAPTKMT2AMEN1
SCHEMBL29047106 0.78 SLC22A2 (0.52) SLC22A2SLC47A1MAPTKMT2AMEN1
SCHEMBL21712133 0.76 SLC22A2 (0.56) SLC22A2SLC47A1MAPTKMT2AMEN1
SCHEMBL4137129 0.75 KMT2A (0.44) SLC22A2SLC47A1MAPTKMT2AMEN1
SCHEMBL354415 0.74 SLC22A2 (0.43) SLC22A2SLC47A1MAPTALDH1A1NPC1
SCHEMBL3813603 0.73 KMT2A (0.48) SLC22A2SLC47A1MAPTKMT2AMEN1
SCHEMBL660251 0.73 SLC22A2 (0.52) SLC22A2SLC47A1MAPTKMT2AMEN1
SCHEMBL353492 0.73 SLC22A2 (0.46) SLC22A2SLC47A1MAPTALDH1A1NPC1
SCHEMBL659876 0.73 SLC22A2 (0.58) SLC22A2SLC47A1MAPTKMT2AMEN1

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-2007028022-A2 NOVEL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-03-08 WO disclosed