SCHEMBL6945144

SCHEMBL6945144

CCOc1nc(CCO)nc(N2CCc3ccccc3CC2)c1C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.40
SQOR Q9Y6N5 2/20 0.40
KDM4E B2RXH2 8/20 0.39
ALDH1A1 P00352 7/20 0.39
MAPT P10636 7/20 0.39
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
HPGD P15428 4/20 0.39
HTT P42858 3/20 0.39
TSHR P16473 2/20 0.39
TP53 P04637 2/20 0.39
HSD17B10 Q99714 2/20 0.39
USP2 O75604 1/20 0.39
RECQL P46063 1/20 0.39
RPS27 P42677 4/20 0.38
MAPK8 P45983 3/20 0.38
MAPK9 P45984 2/20 0.38
MAPK10 P53779 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 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
SCHEMBL6949929 0.90 KDM4E (0.38) HRH4SQORKDM4EALDH1A1MAPT
SCHEMBL6951221 0.88 SQOR (0.41) HRH4SQORKDM4EALDH1A1MAPT
SCHEMBL6950700 0.88 PIK3CD (0.38) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL6957783 0.83 HRH4 (0.44) HRH4SQORKDM4EALDH1A1MAPT
SCHEMBL6957443 0.83 KDM4E (0.36) HRH4SQORKDM4EALDH1A1MAPT
SCHEMBL6947341 0.82 KDM4E (0.46) HRH4SQORKDM4EALDH1A1MAPT
SCHEMBL6955400 0.81 PIK3CD (0.38) SQORKDM4EALDH1A1MAPTMEN1
SCHEMBL6950944 0.79 KDM4C (0.41) SQORKDM4EALDH1A1MAPTMEN1
SCHEMBL6948239 0.79 PIK3CD (0.39) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL6951533 0.78 HRH4 (0.43) HRH4SQORKDM4EALDH1A1MAPT

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