SCHEMBL6950705

SCHEMBL6950705

CCn1c(C)nc(N2CCc3ccc(F)cc3CC2)c([N+](=O)[O-])c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.40
LMNA P02545 6/20 0.40
POLB P06746 2/20 0.40
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 2/20 0.37
NR3C2 P08235 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HTT P42858 4/20 0.35
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 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
NPC1 O15118 1/20 0.33
MITF O75030 1/20 0.33
AGTR1 P30556 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TLR9 Q9NR96 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
SCHEMBL6946348 0.87 MAPT (0.42) MAPTLMNAPOLBALDH1A1RAB9A
SCHEMBL4416951 0.83 POLB (0.47) MAPTLMNAPOLBALDH1A1MEN1
SCHEMBL6434778 0.80 CYP2C9 (0.34) MAPTLMNAPOLBALDH1A1RAB9A
SCHEMBL6952584 0.79 CYP2C9 (0.40) MAPTLMNAPOLBALDH1A1RAB9A
SCHEMBL6950817 0.79 TYMS (0.44) MAPTLMNAPOLBRAB9ANR3C2
SCHEMBL6952859 0.78 CYP2C9 (0.40) MAPTLMNAPOLBALDH1A1RAB9A
SCHEMBL6947618 0.77 CYP2C9 (0.37) MAPTLMNAPOLBRAB9AMEN1
SCHEMBL6952822 0.77 CYP2C9 (0.39) MAPTPOLBMEN1KMT2AHTT
SCHEMBL6953016 0.77 RAB9A (0.39) MAPTPOLBRAB9AMEN1KMT2A
SCHEMBL6948557 0.76 MAPT (0.42) MAPTLMNAPOLBALDH1A1RAB9A

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