SCHEMBL7399367

SCHEMBL7399367

OCCOc1cc(N2CCc3ccccc3CC2)nc(CCOC2CCCCO2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NAPEPLD Q6IQ20 1/20 0.36
TGFBR1 P36897 2/20 0.35
PDE10A Q9Y233 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TGFBR2 P37173 1/20 0.34
USP30 Q70CQ3 1/20 0.33
GRIN2D O15399 3/20 0.33
GRIN3B O60391 3/20 0.33
GRIN1 Q05586 3/20 0.33
GRIN2A Q12879 3/20 0.33
GRIN2B Q13224 3/20 0.33
GRIN2C Q14957 3/20 0.33
GRIN3A Q8TCU5 3/20 0.33
CHRM1 P11229 2/20 0.33
ADRA1D P25100 2/20 0.33

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
SCHEMBL6948613 0.79 KDM4C (0.40) KDM4CL3MBTL1NPC1RAB9ATGFBR1
SCHEMBL6950944 0.71 KDM4C (0.41) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL6948526 0.71 KDM4C (0.40) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL6950695 0.69 KDM4C (0.38) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL22468349 0.67 KDM4C (0.40) KDM4CL3MBTL1NPC1RAB9APDE10A
SCHEMBL29356162 0.67 KDM4C (0.40) KDM4CL3MBTL1NPC1RAB9APDE10A
SCHEMBL6957600 0.67 KDM4C (0.39) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL10683875 0.66 MEN1 (0.57) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL6953035 0.66 KDM4C (0.40) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL10683252 0.65 MEN1 (0.47) KDM4CL3MBTL1NPC1RAB9AMEN1

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
EP-1074549-A2 Tetrahydro-benzo(d)azepines and their use as antagonists at metabotropic glutamate receptors F. HOFFMANN-LA ROCHE AG (CH) 2001-02-07 EP disclosed