SCHEMBL3974738

SCHEMBL3974738

O=c1cn[nH]c2cc(I)c(CC3CC3)cc12

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.33
TDO2 P48775 4/20 0.33
IDO1 P14902 2/20 0.33
NOS1 P29475 1/20 0.32
GRIN2B Q13224 3/20 0.31
JAK2 O60674 2/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
GSK3B P49841 2/20 0.30
PIK3CD O00329 1/20 0.30
PIM1 P11309 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30
ROCK2 O75116 1/20 0.30

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
SCHEMBL4990505 0.66 PIM3 (0.47)
SCHEMBL11150107 0.64 NOS1 (0.41) DAOTDO2IDO1NOS1GRIN2B
SCHEMBL24392413 0.61 KDM4E (0.53) GRIN2B
SCHEMBL29588761 0.61 KDM4E (0.53) GRIN2B
SCHEMBL30095611 0.60 JAK2 (0.41) IDO1JAK2JAK1TYK2JAK3
SCHEMBL30822495 0.60 PTPN6 (0.39) TDO2IDO1NOS1GSK3BPIK3CD
SCHEMBL16636860 0.60 PTPN6 (0.39) TDO2IDO1NOS1GSK3BPIK3CD
SCHEMBL17030860 0.60 GRIN2D (0.50) TDO2IDO1NOS1GRIN2BJAK2
SCHEMBL7883156 0.59 PDE9A (0.49)
SCHEMBL12018677 0.59 MAPK10 (0.47) IDO1

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-2009053799-A1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS, S.A. (US) 2009-04-30 WO disclosed