SCHEMBL6953016

SCHEMBL6953016

CCOc1nc(C)nc(N2CCc3ccc(F)cc3CC2)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.39
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.37
MGMT P16455 4/20 0.37
BLM P54132 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GPR119 Q8TDV5 6/20 0.35
NPC1 O15118 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
MAPK1 P28482 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 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
SCHEMBL6957503 0.87 MGMT (0.44) RAB9AMAPTPOLBMGMTBLM
SCHEMBL4417411 0.83 MAPT (0.48) MAPTPOLBMGMTBLMMEN1
SCHEMBL6434735 0.81 MGMT (0.37) MAPTMGMTBLMMEN1KMT2A
SCHEMBL6953559 0.78 MAPT (0.49) MAPTPOLBMGMTBLMMEN1
SCHEMBL6947678 0.78 MGMT (0.42) RAB9AMAPTPOLBMGMTMEN1
SCHEMBL6950705 0.77 MAPT (0.40) RAB9AMAPTPOLBMEN1KMT2A
SCHEMBL6951003 0.76 MGMT (0.42) RAB9AMAPTPOLBMGMTMEN1
SCHEMBL6945292 0.76 MGMT (0.45) RAB9AMAPTPOLBMGMTMEN1
SCHEMBL6950817 0.76 TYMS (0.44) RAB9AMAPTPOLBMEN1KMT2A
SCHEMBL6950115 0.76 MGMT (0.37) RAB9AMGMTGPR119HRH4

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