SCHEMBL204124

SCHEMBL204124

C[C@H]1CN(C(=O)OC(C)(C)C)c2nc3c[n+]([O-])c4ccccc4c3n21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.33
PDE10A Q9Y233 1/20 0.33
PARP1 P09874 1/20 0.33
GBA1 P04062 1/20 0.33
ADAM17 P78536 1/20 0.32
POLR1A O95602 1/20 0.31
SMARCA2 P51531 1/20 0.31
SMARCA4 P51532 1/20 0.31
PBRM1 Q86U86 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
OPRM1 P35372 2/20 0.31
OPRK1 P41145 2/20 0.31
OGFRL1 Q5TC84 2/20 0.31
KDM1A O60341 1/20 0.31
NAMPT P43490 1/20 0.31
KCNK3 O14649 1/20 0.31
KCNK9 Q9NPC2 1/20 0.31
OPRD1 P41143 1/20 0.31
SCN9A Q15858 1/20 0.31

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
SCHEMBL4520678 0.86 PDE10A (0.34) PDE10A
SCHEMBL202690 0.80 PDE10A (0.36) PDE10AGBA1MEN1KMT2ASCN9A
SCHEMBL202168 0.74 TLR7 (0.42)
SCHEMBL1774477 0.69 SIGMAR1 (0.32)
SCHEMBL14288487 0.65 TLR7 (0.39) MEN1KMT2A
SCHEMBL5348805 0.65 CNR2 (0.47)
SCHEMBL5109147 0.63 BCHE (0.39) GBA1
SCHEMBL8136997 0.61 PIM1 (0.44)
SCHEMBL2511389 0.61
SCHEMBL30418336 0.61 KDM1A (0.38) SMARCA2SMARCA4PBRM1MEN1KMT2A

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
US-8088788-B2 Substituted fused[1,2] imidazo[4,5-c] ring compounds and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-01-03 US disclosed