SCHEMBL6949469

SCHEMBL6949469

Cc1nc(O)c([N+](=O)[O-])c(N2CCc3ccccc3CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 5/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NPY5R Q15761 1/20 0.38
EED O75530 1/20 0.38

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
SCHEMBL6947517 0.87 MEN1 (0.44) POLBMEN1KMT2AHTTSMN1; SMN2
SCHEMBL6951809 0.82 MEN1 (0.40) POLBMEN1KMT2AHTTSMN1; SMN2
SCHEMBL6435503 0.80 HTT (0.33) POLBMEN1KMT2AHTTSMN1; SMN2
SCHEMBL6957503 0.80 MGMT (0.44) POLBMEN1KMT2AHTTSMN1; SMN2
SCHEMBL6436787 0.80 ALDH1A1 (0.36) POLBMEN1KMT2AHTTSMN1; SMN2
SCHEMBL6951003 0.79 MGMT (0.42) POLBMEN1KMT2AHTTSMN1; SMN2
SCHEMBL6949468 0.79 HTT (0.52) POLBMEN1KMT2AHTTSMN1; SMN2
SCHEMBL6949472 0.79 MGMT (0.42) POLBMEN1KMT2AHTTSMN1; SMN2
SCHEMBL6948575 0.79 MGMT (0.42) POLBMEN1KMT2AHTTSMN1; SMN2
SCHEMBL6945708 0.78 GRIN2D (0.39) POLBMEN1KMT2AHTTMAPT

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 6 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 claimed
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 claimed
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 claimed
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