SCHEMBL6953994

SCHEMBL6953994

N#Cc1c(OCC(F)(F)F)nc(NCCCn2ccnc2)nc1N1CCc2ccccc2CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 2/20 0.41
HTT P42858 2/20 0.41
L3MBTL1 Q9Y468 5/20 0.41
ALDH1A1 P00352 8/20 0.40
GAA P10253 7/20 0.40
KDM4E B2RXH2 7/20 0.40
HSD17B10 Q99714 6/20 0.40
HPGD P15428 5/20 0.40
POLB P06746 2/20 0.40
CASP1 P29466 2/20 0.40
CASP7 P55210 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 6/20 0.39
PKM P14618 2/20 0.39
TSHR P16473 3/20 0.38
SCN9A Q15858 2/20 0.38
TDP1 Q9NUW8 3/20 0.38
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CLK1 P49759 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
SCHEMBL6945718 0.85 ALDH1A1 (0.40) GLAHTTL3MBTL1ALDH1A1GAA
SCHEMBL6952835 0.84 KDM4E (0.43) GLAALDH1A1GAAKDM4EHSD17B10
SCHEMBL6945704 0.83 GRIN2D (0.41) GLAHTTALDH1A1GAAKDM4E
SCHEMBL6948041 0.82 ABCC1 (0.41) GLAHTTL3MBTL1ALDH1A1GAA
SCHEMBL6947660 0.80 OGA (0.40)
SCHEMBL6955488 0.80 AURKA (0.38) HTTALDH1A1KDM4EHSD17B10HPGD
SCHEMBL6949377 0.80 MEN1 (0.42) GLAALDH1A1GAAKDM4EHSD17B10
SCHEMBL6951267 0.79 ALDH1A1 (0.40) GLAHTTALDH1A1GAAKDM4E
SCHEMBL6949140 0.78 PLK1 (0.39) HTTALDH1A1GAAKDM4EHSD17B10
SCHEMBL6952840 0.76 PIK3CD (0.38) HTTALDH1A1KDM4EHSD17B10HPGD

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