SCHEMBL6948328

SCHEMBL6948328

O=[N+]([O-])c1c(N2CCc3ccccc3CC2)nc2c(c1O)CCCCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
CHRM1 P11229 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
ACHE P22303 3/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 3/20 0.38
POLB P06746 3/20 0.38
MAPT P10636 3/20 0.38
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
APP P05067 1/20 0.38

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
SCHEMBL6951581 0.80 BCHE (0.43) ACHEBCHE
SCHEMBL6957441 0.75 HRH4 (0.42) ACHEKMT2AMEN1ALDH1A1MAPT
SCHEMBL6949469 0.73 POLB (0.43) KMT2AMEN1POLBMAPTMAPK1
SCHEMBL6956277 0.72 ACHE (0.40) ACHEKMT2AMEN1ALDH1A1MAPK1
SCHEMBL6701780 0.71 ACHE (0.40) ACHEKMT2AMEN1ALDH1A1MAPT
SCHEMBL6947517 0.70 MEN1 (0.44) KMT2AMEN1ALDH1A1POLBMAPT
SCHEMBL6949468 0.70 HTT (0.52) KMT2AMEN1ALDH1A1POLBMAPT
SCHEMBL6952315 0.68 MAPT (0.42) KMT2AMEN1ALDH1A1POLBMAPT
SCHEMBL6951060 0.68 HTT (0.44) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL6951809 0.67 MEN1 (0.40) KMT2AMEN1POLBMAPTHTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1074549-B1 Tetrahydro-benzo(d)azepines and their use as antagonists at metabotropic glutamate receptors HOFFMANN LA ROCHE (CH) 2003-11-19 EP disclosed
US-6218385-B1 FOR THERAPY OR PROPHYLAXIS OF ACUTE AND/OR CHRONIC NEUROLOGICAL DISORDERS SUCH AS EPILEPSY, STROKE, CHRONIC AND ACUTE PAIN, PSYCHOSIS, SCHIZOPHRENIA, ALZHEIMER'S DISEASE, COGNITIVE DISORDERS AND MEMORY DEFICITS HOFFMANN-LA ROCHE INC. 2001-04-17 US disclosed
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