SCHEMBL6956201

SCHEMBL6956201

Cc1nc(NCC(F)(F)F)c(C#N)c(N2CCc3ccccc3CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.41
ALDH1A1 P00352 9/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
MAPT P10636 5/20 0.41
HTT P42858 4/20 0.41
POLB P06746 3/20 0.41
GAA P10253 2/20 0.41
HIF1A Q16665 2/20 0.41
PIK3CD O00329 1/20 0.41
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 2/20 0.39
CTSL P07711 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
CXCR4 P61073 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
L3MBTL1 Q9Y468 2/20 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
SCHEMBL6953934 0.79 KDM4E (0.43) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL6956303 0.79 KDM4E (0.41) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL6957568 0.77 KDM4E (0.51) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL6945569 0.76 ALDH1A1 (0.37) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL6953008 0.76 GRM2 (0.38) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL6947571 0.76 KDM4E (0.40) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL6952068 0.75 ALDH1A1 (0.49) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL6957783 0.74 HRH4 (0.44) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL6952290 0.74 KDM4E (0.39) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL6951193 0.74 ALDH1A1 (0.41) KDM4EALDH1A1MEN1KMT2AMAPT

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