SCHEMBL6954683

SCHEMBL6954683

N#Cc1c(OCC(F)(F)F)nc(OCCCc2ccccn2)nc1N1CCc2ccccc2CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 1/20 0.35
SYK P43405 1/20 0.35
BRSK1 Q8TDC3 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
HTR2A P28223 5/20 0.35
HTR2C P28335 5/20 0.35
HTR2B P41595 5/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
TSHR P16473 2/20 0.34
LMNA P02545 1/20 0.34
PIK3CD O00329 1/20 0.34
HRH4 Q9H3N8 1/20 0.33
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 4/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
KMT2A Q03164 2/20 0.33
HSD17B10 Q99714 2/20 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 0.87 LMNA (0.44) TSHRLMNAPIK3CDKDM4EALDH1A1
SCHEMBL6953043 0.85 LMNA (0.38) HTR2AHTR2BTSHRLMNAPIK3CD
SCHEMBL6954057 0.84 ALDH1A1 (0.39) TSHRLMNAPIK3CDKDM4EALDH1A1
SCHEMBL6949864 0.80 HRH4 (0.36) TYK2SYKBRSK1IRAK4HRH4
SCHEMBL6948239 0.78 PIK3CD (0.39) TSHRLMNAPIK3CDKDM4EALDH1A1
SCHEMBL6950069 0.78 KDM4E (0.42) TSHRLMNAPIK3CDHRH4KDM4E
SCHEMBL6956303 0.78 KDM4E (0.41) TSHRLMNAPIK3CDKDM4EALDH1A1
SCHEMBL6955400 0.76 PIK3CD (0.38) TSHRLMNAPIK3CDKDM4EALDH1A1
SCHEMBL6950700 0.76 PIK3CD (0.38) TSHRLMNAPIK3CDKDM4EALDH1A1
SCHEMBL6950658 0.76 LMNA (0.43) TSHRLMNAKDM4EALDH1A1MEN1

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