SCHEMBL6948400

SCHEMBL6948400

N#Cc1c(N2CCc3ccccc3CC2)nc(N)[nH]c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.51
ALDH1A1 P00352 6/20 0.44
HPGD P15428 4/20 0.44
KDM4E B2RXH2 3/20 0.44
HTT P42858 2/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ADORA2A P29274 3/20 0.41
ADRA2A P08913 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TYMS P04818 1/20 0.41
NPSR1 Q6W5P4 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ATM Q13315 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
GRIN2D O15399 2/20 0.37

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
SCHEMBL6949962 0.85 GAA (0.43) ALDH1A1HPGDKDM4EHTTMEN1
SCHEMBL6948423 0.82 ALDH1A1 (0.42) ALDH1A1HPGDKDM4EHTTMEN1
SCHEMBL6951832 0.81 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EHTTMEN1
SCHEMBL6952723 0.81 PDE9A (0.44) ALDH1A1HPGDKDM4EHTTMEN1
SCHEMBL6955411 0.81 RXFP1 (0.54) ALDH1A1HPGDKDM4EHTTMEN1
SCHEMBL6951286 0.80 PDE9A (0.40) ALDH1A1HPGDKDM4EHTTMEN1
SCHEMBL6948386 0.80 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EHTTMEN1
SCHEMBL6945649 0.80 PDE9A (0.41) ALDH1A1HPGDKDM4EHTTMEN1
SCHEMBL6945691 0.80 PDE9A (0.45) ALDH1A1HPGDKDM4EHTTMEN1
SCHEMBL6953105 0.79 ALDH1A1 (0.42) ALDH1A1HPGDKDM4EHTTMEN1

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 7 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 claimed
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 claimed
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 claimed
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
JP-2001089472-A 1,2,4,5-TETRAHYDRO-BENZ[d]AZEPINES F HOFFMANN LA ROCHE AG 2001-04-03 JP 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