SCHEMBL6949302

SCHEMBL6949302

Cc1nc(N2CCc3ccccc3CC2)c(C#N)c(=O)n1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.43
HTT P42858 4/20 0.43
POLB P06746 3/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 8/20 0.42
KDM4E B2RXH2 6/20 0.42
HPGD P15428 5/20 0.42
KMT2A Q03164 4/20 0.42
HSD17B10 Q99714 3/20 0.42
MEN1 O00255 3/20 0.42
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
GAA P10253 1/20 0.38
HIF1A Q16665 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
SCHEMBL6951651 0.86 HPGD (0.43) GRM2HTTPOLBRAB9ANPSR1
SCHEMBL6947212 0.86 HPGD (0.41) GRM2HTTPOLBRAB9ANPSR1
SCHEMBL6952837 0.85 GRM2 (0.43) GRM2HTTPOLBRAB9ANPSR1
SCHEMBL6952709 0.85 GRM2 (0.42) GRM2HTTPOLBRAB9ANPSR1
SCHEMBL6945683 0.84 GRM2 (0.42) GRM2HTTPOLBRAB9ANPSR1
SCHEMBL6947753 0.84 GAA (0.41) GRM2HTTPOLBRAB9ANPSR1
SCHEMBL6949656 0.84 GRM2 (0.41) GRM2HTTPOLBRAB9ANPSR1
SCHEMBL6945471 0.84 HPGD (0.42) GRM2HTTPOLBRAB9ANPSR1
SCHEMBL6951472 0.84 ALDH1A1 (0.47) GRM2HTTPOLBRAB9ANPSR1
SCHEMBL6947580 0.84 HPGD (0.40) GRM2HTTPOLBRAB9ANPSR1

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