SCHEMBL6945683

SCHEMBL6945683

Cc1nc(N2CCc3ccccc3CC2)c(C#N)c(=O)n1CCO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.42
KMT2A Q03164 8/20 0.40
MEN1 O00255 7/20 0.40
MAPT P10636 6/20 0.40
TSHR P16473 3/20 0.39
HTT P42858 4/20 0.39
POLB P06746 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 7/20 0.39
KDM4E B2RXH2 5/20 0.39
HSD17B10 Q99714 4/20 0.39
HPGD P15428 4/20 0.39
TP53 P04637 2/20 0.39
MAPK1 P28482 2/20 0.39
CXCR4 P61073 1/20 0.38
GAA P10253 1/20 0.37
HIF1A Q16665 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 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
SCHEMBL6952837 0.90 GRM2 (0.43) GRM2KMT2AMEN1MAPTTSHR
SCHEMBL6952709 0.87 GRM2 (0.42) GRM2KMT2AMEN1MAPTTSHR
SCHEMBL6950011 0.87 GRM2 (0.41) GRM2KMT2AMEN1MAPTTSHR
SCHEMBL6949656 0.86 GRM2 (0.41) GRM2KMT2AMEN1MAPTTSHR
SCHEMBL6949276 0.85 GRM2 (0.39) GRM2KMT2AMEN1MAPTTSHR
SCHEMBL6949923 0.85 GRM2 (0.42) GRM2KMT2AMEN1MAPTTSHR
SCHEMBL6949918 0.85 GRM2 (0.42) GRM2KMT2AMEN1MAPTTSHR
SCHEMBL6949302 0.84 GRM2 (0.43) GRM2KMT2AMEN1MAPTHTT
SCHEMBL6947600 0.84 GRM2 (0.40) GRM2KMT2AMEN1MAPTTSHR
SCHEMBL6947212 0.83 HPGD (0.41) GRM2KMT2AMEN1MAPTTSHR

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