SCHEMBL6945474

SCHEMBL6945474

CSCCc1nc(N2CCc3ccccc3CC2)c(C#N)c(=O)n1CCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.38
ALDH1A1 P00352 11/20 0.35
KDM4E B2RXH2 8/20 0.35
MEN1 O00255 7/20 0.35
KMT2A Q03164 7/20 0.35
MAPT P10636 7/20 0.35
HTT P42858 5/20 0.35
HPGD P15428 5/20 0.35
HSD17B10 Q99714 4/20 0.35
TP53 P04637 2/20 0.35
NPSR1 Q6W5P4 3/20 0.35
POLB P06746 2/20 0.35
RAB9A P51151 1/20 0.35
MAPK1 P28482 2/20 0.35
RXFP1 Q9HBX9 1/20 0.34
LMNA P02545 2/20 0.34
TSHR P16473 2/20 0.33
GAA P10253 1/20 0.33
HIF1A Q16665 1/20 0.33
CASP1 P29466 1/20 0.33

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
SCHEMBL6949276 0.90 GRM2 (0.39) GRM2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6950978 0.89 GRM2 (0.38) GRM2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6955474 0.83 GRM2 (0.39) GRM2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6945683 0.82 GRM2 (0.42) GRM2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6950695 0.77 KDM4C (0.38) GRM2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6951302 0.76 PDE9A (0.40) GRM2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6947710 0.75 KDM4E (0.38) GRM2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6950991 0.74 GRM2 (0.37) GRM2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6957443 0.74 KDM4E (0.36) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL6952837 0.73 GRM2 (0.43) GRM2ALDH1A1KDM4EMEN1KMT2A

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