SCHEMBL6947580

SCHEMBL6947580

CNn1c(C)nc(N2CCc3ccccc3CC2)c(C#N)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.40
ALDH1A1 P00352 5/20 0.40
HTT P42858 4/20 0.40
KDM4E B2RXH2 4/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
HSD17B10 Q99714 3/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
GRM2 Q14416 1/20 0.39
POLB P06746 3/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PTPN11 Q06124 1/20 0.37
AKT1 P31749 2/20 0.36
AKT2 P31751 2/20 0.36
AKT3 Q9Y243 2/20 0.36
RECQL P46063 1/20 0.36
PLK1 P53350 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL6950824 0.87 GRM2 (0.41) HPGDALDH1A1HTTKDM4EKMT2A
SCHEMBL6955743 0.87 GRM2 (0.39) HPGDALDH1A1HTTKDM4EKMT2A
SCHEMBL6953008 0.85 GRM2 (0.38) HPGDALDH1A1HTTKDM4EKMT2A
SCHEMBL6949302 0.84 GRM2 (0.43) HPGDALDH1A1HTTKDM4EKMT2A
SCHEMBL6947212 0.83 HPGD (0.41) HPGDALDH1A1HTTKDM4EKMT2A
SCHEMBL6951651 0.83 HPGD (0.43) HPGDALDH1A1HTTKDM4EKMT2A
SCHEMBL6952709 0.82 GRM2 (0.42) HPGDALDH1A1HTTKDM4EKMT2A
SCHEMBL6953535 0.81 LIPE (0.38) HPGDALDH1A1HTTKDM4EKMT2A
SCHEMBL6951472 0.81 ALDH1A1 (0.47) HPGDALDH1A1HTTKDM4EKMT2A
SCHEMBL6945471 0.81 HPGD (0.42) HPGDALDH1A1HTTKDM4EKMT2A

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 6 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
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