SCHEMBL6950069

SCHEMBL6950069

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.42
ALDH1A1 P00352 7/20 0.42
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
HPGD P15428 4/20 0.42
MAPT P10636 3/20 0.42
HTT P42858 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TP53 P04637 1/20 0.42
PIK3CD O00329 1/20 0.39
ADORA2A P29274 3/20 0.37
ADRA2A P08913 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MAPK1 P28482 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TSHR P16473 2/20 0.36
USP2 O75604 2/20 0.36
RECQL P46063 1/20 0.36
HRH4 Q9H3N8 3/20 0.36
LMNA P02545 2/20 0.36

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
SCHEMBL6957307 0.88 LMNA (0.44) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL6956303 0.87 KDM4E (0.41) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL6947341 0.86 KDM4E (0.46) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL6948239 0.85 PIK3CD (0.39) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL6947632 0.84 PIK3CD (0.39) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL6949294 0.84 KDM4E (0.43) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL6952682 0.83 ALDH1A1 (0.42) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL6955400 0.83 PIK3CD (0.38) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL6950700 0.83 PIK3CD (0.38) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL6957239 0.82 PIK3CD (0.40) KDM4EALDH1A1MEN1KMT2AHPGD

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