SCHEMBL6947740

SCHEMBL6947740

Cc1nc(N2CCc3ccc(Cl)cc3CC2)c([N+](=O)[O-])c(=O)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 2/20 0.44
HRH4 Q9H3N8 4/20 0.41
RPS6KB1 P23443 2/20 0.41
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
HTR3A P46098 1/20 0.36
HCRTR1 O43613 1/20 0.36
PKM P14618 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GFER P55789 1/20 0.36
MAT2A P31153 2/20 0.36
POLB P06746 1/20 0.35
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35

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
SCHEMBL6955056 0.88 PNMT (0.40) TYMSHRH4RPS6KB1MEN1KMT2A
SCHEMBL6950817 0.87 TYMS (0.44) TYMSMEN1KMT2AGFERPOLB
SCHEMBL6953047 0.87 MAPT (0.38) RPS6KB1MEN1KMT2AMAPTHTT
SCHEMBL6951360 0.85 LMNA (0.42) MEN1KMT2AMAPTHTT
SCHEMBL6948442 0.84 CA1 (0.41) RPS6KB1KMT2AMAPTHTT
SCHEMBL6952830 0.82 RAB9A (0.47) MEN1KMT2APOLBMAPTHTT
SCHEMBL6955100 0.81 MAPT (0.39) KMT2AMAPTHTT
SCHEMBL6435436 0.79 MAPT (0.35) HRH4HTR3AMEN1KMT2APOLB
SCHEMBL6948586 0.75 TYMS (0.44) TYMSPKMMEN1KMT2APOLB
SCHEMBL6952355 0.74 KMT2A (0.40) MEN1KMT2AGFER

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