SCHEMBL10145837

SCHEMBL10145837

Cn1c(=O)n(CC2(C)CC2)c2ccc(-c3cc(Oc4ccnc(N)c4)ccc3N)cc21

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARG Q86W56 11/20 0.42
P2RX3 P56373 1/20 0.34
TRIM24 O15164 1/20 0.33
GRM2 Q14416 3/20 0.33
ADAM17 P78536 1/20 0.32
ROCK2 O75116 1/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
AXL P30530 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
SCHEMBL10145836 0.86 GRM2 (0.39) P2RX3TRIM24GRM2AXL
SCHEMBL10146391 0.85 TRIM24 (0.40) PARGP2RX3TRIM24GRM2AXL
SCHEMBL10146625 0.82 GRM2 (0.36) P2RX3TRIM24GRM2AXL
SCHEMBL10145839 0.82 PIK3CA (0.44) PARGGRM2AXL
SCHEMBL14992370 0.81 PARG (0.40) PARGP2RX3GRM2
SCHEMBL10146620 0.79 POLB (0.35) PARGP2RX3AXL
SCHEMBL10146671 0.78 PARG (0.51) PARGGRM2
SCHEMBL10146007 0.74 GRM2 (0.43) PARGGRM2
SCHEMBL10146645 0.73 GRM2 (0.49) PARGGRM2
SCHEMBL10146006 0.72 PARG (0.40) PARGTRIM24GRM2ROCK2

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-2012021382-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME CORP. (US) 2012-02-16 WO disclosed