SCHEMBL6949656

SCHEMBL6949656

Cc1nc(N2CCc3ccccc3CC2)c(C#N)c(=O)n1CC#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.41
TSHR P16473 2/20 0.40
ALDH1A1 P00352 9/20 0.40
HPGD P15428 8/20 0.40
KDM4E B2RXH2 6/20 0.40
HSD17B10 Q99714 5/20 0.40
KMT2A Q03164 5/20 0.40
MAPT P10636 5/20 0.40
HTT P42858 4/20 0.40
MEN1 O00255 4/20 0.40
TP53 P04637 2/20 0.40
MAPK1 P28482 2/20 0.40
POLB P06746 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
RAB9A P51151 1/20 0.38
PTPN11 Q06124 1/20 0.37
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
HIF1A Q16665 2/20 0.36
RECQL P46063 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
SCHEMBL6952709 0.89 GRM2 (0.42) GRM2TSHRALDH1A1HPGDKDM4E
SCHEMBL6954345 0.87 GRM2 (0.41) GRM2TSHRALDH1A1HPGDKDM4E
SCHEMBL6952837 0.87 GRM2 (0.43) GRM2TSHRALDH1A1HPGDKDM4E
SCHEMBL6947600 0.86 GRM2 (0.40) GRM2TSHRALDH1A1HPGDKDM4E
SCHEMBL6945683 0.86 GRM2 (0.42) GRM2TSHRALDH1A1HPGDKDM4E
SCHEMBL6949369 0.85 MEN1 (0.43) GRM2ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL6950011 0.84 GRM2 (0.41) GRM2TSHRALDH1A1HPGDKDM4E
SCHEMBL6949302 0.84 GRM2 (0.43) GRM2ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL6951651 0.83 HPGD (0.43) GRM2ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL6947212 0.83 HPGD (0.41) GRM2TSHRALDH1A1HPGDKDM4E

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