SCHEMBL6949377

SCHEMBL6949377

N#Cc1c(OCC(F)(F)F)nc(NCCN2CCOCC2)nc1N1CCc2ccccc2CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TSHR P16473 3/20 0.41
ALDH1A1 P00352 7/20 0.41
KDM4E B2RXH2 6/20 0.41
HSD17B10 Q99714 5/20 0.41
HPGD P15428 5/20 0.41
CASP1 P29466 2/20 0.41
POLB P06746 1/20 0.41
CASP7 P55210 1/20 0.41
LMNA P02545 3/20 0.40
CYP1A2 P05177 3/20 0.40
CYP2D6 P10635 3/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2C19 P33261 3/20 0.40
ALOX15 P16050 2/20 0.40
HIF1A Q16665 2/20 0.40
CYP2C9 P11712 2/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 2/20 0.39

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
SCHEMBL6952835 0.95 KDM4E (0.43) MEN1KMT2ATSHRALDH1A1KDM4E
SCHEMBL6948041 0.92 ABCC1 (0.41) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL6945704 0.86 GRIN2D (0.41) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL6945718 0.84 ALDH1A1 (0.40) MEN1KMT2ATSHRALDH1A1KDM4E
SCHEMBL6951267 0.82 ALDH1A1 (0.40) MEN1KMT2ATSHRALDH1A1KDM4E
SCHEMBL6955488 0.81 AURKA (0.38) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL6949140 0.80 PLK1 (0.39) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL6953994 0.80 GLA (0.41) KMT2ATSHRALDH1A1KDM4EHSD17B10
SCHEMBL6947660 0.80 OGA (0.40) PIK3CA
SCHEMBL6952840 0.79 PIK3CD (0.38) MEN1KMT2AALDH1A1KDM4EHSD17B10

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