SCHEMBL15326746

SCHEMBL15326746

CCCCOc1c(B2OC(C)(C)C(C)(C)O2)cc2c(c1[N+](=O)[O-])CCC2

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.35
GRIN3B O60391 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2A Q12879 2/20 0.35
GRIN2B Q13224 2/20 0.35
GRIN2C Q14957 2/20 0.35
GRIN3A Q8TCU5 2/20 0.35
MAPT P10636 2/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL15326749 0.78 GRIN2D (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL22229652 0.66 P2RX7 (0.31)
SCHEMBL29289254 0.65 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL26694794 0.64 CA12 (0.35) NPC1RAB9A
SCHEMBL30709970 0.64 CA12 (0.35) NPC1RAB9A
SCHEMBL14962041 0.64 P2RX7 (0.40)
SCHEMBL18122142 0.64 MAPT (0.41) MAPTNPC1RAB9A
SCHEMBL12776575 0.63 LPL (0.42) MAPT
SCHEMBL21646772 0.63 GRIN2D (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15326757 0.63 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-2013152683-A1 BICYCLE SUBSTITUTED PYRAZOLONEAZO DERIVATIVES AND PREPARATION METHOD AND USE THEREOF 齐鲁制药有限公司 (CN) 2013-10-17 WO disclosed