SCHEMBL6949293

SCHEMBL6949293

CSc1nc(OCCN2CCCC2=O)c(C#N)c(N2CCc3ccccc3CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CTSS P25774 3/20 0.38
POLB P06746 1/20 0.38
PIK3CD O00329 1/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
CTSK P43235 1/20 0.36
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
KIT P10721 2/20 0.35
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CNR2 P34972 2/20 0.34
EGLN2 Q96KS0 1/20 0.34
GRM2 Q14416 1/20 0.34
PDK2 Q15119 1/20 0.34
SGK1 O00141 1/20 0.33
PTK2 Q05397 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
SCHEMBL6949790 0.83 ALDH1A1 (0.41) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL6949089 0.82 MKNK1 (0.40) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL6953029 0.81 GRM2 (0.40) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL6947632 0.79 PIK3CD (0.39) MEN1KMT2APOLBPIK3CDKDM4E
SCHEMBL6955735 0.78 ADRA2A (0.38) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL6949864 0.78 HRH4 (0.36) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL6948352 0.72 ALDH1A1 (0.46) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL6948665 0.72 KDM4E (0.48) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL6956595 0.72 KMT2A (0.45) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL6947782 0.72 CXCR4 (0.41) MEN1KMT2APOLBKDM4EALDH1A1

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