SCHEMBL3250701

SCHEMBL3250701

COc1ccc2c(c1)CN(C(=O)Cn1c(=O)n(C)c3cc(Br)cnc31)C2

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.44
OPRM1 P35372 2/20 0.40
OPRK1 P41145 2/20 0.40
ROCK1 Q13464 1/20 0.40
GRIN1 Q05586 11/20 0.39
GRIN2B Q13224 11/20 0.39
PDE1B Q01064 1/20 0.38
NAMPT P43490 1/20 0.38
PDE4B Q07343 1/20 0.38
CXCR3 P49682 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
SCHEMBL3242733 0.85 GRIN1 (0.50) GRIN1GRIN2B
SCHEMBL13521762 0.85 TAAR1 (0.41) OPRM1OPRK1
SCHEMBL3249233 0.83 GRIN2B (0.61) GRIN1GRIN2B
SCHEMBL3245322 0.81 GRIN1 (0.51) GRIN1GRIN2B
SCHEMBL3252351 0.81 GRIN2B (0.52) GRIN1GRIN2B
SCHEMBL3245549 0.79 GRIN1 (0.46) GRIN1GRIN2B
SCHEMBL3236751 0.79 GRIN1 (0.46) GRIN1GRIN2B
SCHEMBL3252047 0.77 GRIN1 (0.46) ROCK1GRIN1GRIN2B
SCHEMBL3256125 0.75 GRIN2B (0.55) GRIN1GRIN2B
SCHEMBL3244881 0.74 ROCK1 (0.40) ROCK1NAMPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010008777-A2 FUSED AZABICYCLIC PYRIDINES LIGAND PHARMACEUTICALS INC. (US) 2010-01-21 WO disclosed
WO-2010008777-A2 FUSED AZABICYCLIC PYRIDINES LIGAND PHARMACEUTICALS INC. (US) 2010-01-21 WO disclosed