SCHEMBL6949369

SCHEMBL6949369

C=CCn1c(C)nc(N2CCc3ccccc3CC2)c(C#N)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.43
KMT2A Q03164 11/20 0.43
KDM4E B2RXH2 9/20 0.43
HPGD P15428 3/20 0.43
MAPT P10636 12/20 0.43
ALDH1A1 P00352 11/20 0.43
HSD17B10 Q99714 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2D6 P10635 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP1A2 P05177 2/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HTT P42858 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HIF1A Q16665 2/20 0.41
POLB P06746 2/20 0.41

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
SCHEMBL6951049 0.88 MAPT (0.41) MEN1KMT2AKDM4EHPGDMAPT
SCHEMBL6952709 0.86 GRM2 (0.42) MEN1KMT2AKDM4EHPGDMAPT
SCHEMBL6953085 0.86 GRM2 (0.38) MEN1KMT2AKDM4EHPGDMAPT
SCHEMBL6950032 0.85 ALDH1A1 (0.39) MEN1KMT2AKDM4EHPGDMAPT
SCHEMBL6949656 0.85 GRM2 (0.41) MEN1KMT2AKDM4EHPGDMAPT
SCHEMBL6950036 0.84 ALDH1A1 (0.40) MEN1KMT2AKDM4EHPGDMAPT
SCHEMBL6950993 0.84 ALDH1A1 (0.40) MEN1KMT2AKDM4EHPGDMAPT
SCHEMBL6952837 0.84 GRM2 (0.43) MEN1KMT2AKDM4EHPGDMAPT
SCHEMBL6947679 0.84 MAPT (0.39) MEN1KMT2AKDM4EHPGDMAPT
SCHEMBL6945683 0.83 GRM2 (0.42) MEN1KMT2AKDM4EHPGDMAPT

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