SCHEMBL6947600

SCHEMBL6947600

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.40
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 6/20 0.39
HPGD P15428 5/20 0.39
KMT2A Q03164 4/20 0.39
HSD17B10 Q99714 3/20 0.39
MEN1 O00255 3/20 0.39
HTT P42858 3/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
CNR1 P21554 1/20 0.38
POLB P06746 2/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL6952709 0.87 GRM2 (0.42) GRM2KDM4EALDH1A1HPGDKMT2A
SCHEMBL6949656 0.86 GRM2 (0.41) GRM2KDM4EALDH1A1HPGDKMT2A
SCHEMBL6947484 0.86 ALDH1A1 (0.42) GRM2KDM4EALDH1A1HPGDKMT2A
SCHEMBL6952837 0.85 GRM2 (0.43) GRM2KDM4EALDH1A1HPGDKMT2A
SCHEMBL6947710 0.85 KDM4E (0.38) GRM2KDM4EALDH1A1HPGDKMT2A
SCHEMBL6950991 0.84 GRM2 (0.37) GRM2KDM4EALDH1A1HPGDKMT2A
SCHEMBL6945683 0.84 GRM2 (0.42) GRM2KDM4EALDH1A1HPGDKMT2A
SCHEMBL6949369 0.83 MEN1 (0.43) GRM2KDM4EALDH1A1HPGDKMT2A
SCHEMBL6954345 0.83 GRM2 (0.41) GRM2KDM4EALDH1A1HPGDKMT2A
SCHEMBL6951385 0.83 GRM2 (0.40) GRM2KDM4EALDH1A1HPGDKMT2A

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