SCHEMBL3123200

SCHEMBL3123200

COc1ccc(CNC(=O)Cn2c(=O)n(C)c3cc(-c4cc(Cl)cc(Cl)c4)cnc32)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 4/20 0.39
ADORA2A P29274 3/20 0.39
GRIN1 Q05586 4/20 0.39
GRIN2B Q13224 4/20 0.39
PIK3CD O00329 1/20 0.39
MAPT P10636 2/20 0.38
P2RX3 P56373 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MLLT1 Q03111 1/20 0.38
HTT P42858 1/20 0.38
PDE1B Q01064 1/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
HTR1A P08908 1/20 0.37
OPRM1 P35372 1/20 0.37
DRD3 P35462 1/20 0.37
HTR2B P41595 1/20 0.37
KCNH2 Q12809 1/20 0.37
PDE5A O76074 1/20 0.37

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
SCHEMBL13521724 0.90 MAPT (0.49) ADORA2BADORA2AGRIN1GRIN2BMAPT
SCHEMBL13521574 0.87 TP53 (0.44) GRIN1GRIN2BMAPTLMNATP53
SCHEMBL3114848 0.87 GRIN1 (0.43) ADORA2BADORA2AGRIN1GRIN2BMAPT
SCHEMBL3118576 0.86 CES2 (0.49) ADORA2BADORA2AGRIN1GRIN2BMAPT
SCHEMBL13521612 0.85 MAPT (0.51) ADORA2BADORA2AMAPTLMNATP53
SCHEMBL3129349 0.85 GRIN1 (0.48) GRIN1GRIN2BLMNA
SCHEMBL3129279 0.81 KMT2A (0.50) MAPTLMNATP53HTT
SCHEMBL3244764 0.79 PKM (0.46) GRIN1GRIN2BMAPTHTT
SCHEMBL3131888 0.79 HSD17B10 (0.49) GRIN1GRIN2BMAPTLMNATP53
SCHEMBL3128744 0.78 GRIN1 (0.43) GRIN1GRIN2BHTT

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