SCHEMBL6954057

SCHEMBL6954057

COCCOc1nc(OCC(F)(F)F)c(C#N)c(N2CCc3ccccc3CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.39
KDM4E B2RXH2 5/20 0.39
MAPT P10636 5/20 0.39
HPGD P15428 4/20 0.39
HSD17B10 Q99714 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HTT P42858 2/20 0.39
TP53 P04637 1/20 0.39
SQOR Q9Y6N5 1/20 0.38
PIK3CD O00329 1/20 0.37
MAPK1 P28482 2/20 0.37
LMNA P02545 3/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.35
GFER P55789 1/20 0.35
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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 0.91 LMNA (0.44) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL6953043 0.87 LMNA (0.38) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL6954683 0.84 TYK2 (0.35) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL6956303 0.83 KDM4E (0.41) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL6948239 0.82 PIK3CD (0.39) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL6950069 0.81 KDM4E (0.42) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL6947632 0.81 PIK3CD (0.39) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL6953583 0.81 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL6955400 0.80 PIK3CD (0.38) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL6950658 0.79 LMNA (0.43) ALDH1A1KDM4EMAPTHPGDHSD17B10

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