SCHEMBL6945190

SCHEMBL6945190

Cc1nc(OCC(O)CO)c(C#N)c(N2CCc3ccccc3CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
HSD17B10 Q99714 3/20 0.38
HPGD P15428 2/20 0.38
HTT P42858 2/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
KCNA5 P22460 1/20 0.38
KCNH2 Q12809 1/20 0.38
CXCR4 P61073 2/20 0.37
CYP1A2 P05177 1/20 0.36
PRMT5 O14744 4/20 0.36
WDR77 Q9BQA1 4/20 0.36
GRM2 Q14416 1/20 0.35
POLB P06746 2/20 0.34
HRH4 Q9H3N8 1/20 0.34

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
SCHEMBL6945186 1.00 MEN1 (0.38) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL6947782 0.85 CXCR4 (0.41) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL6957783 0.84 HRH4 (0.44) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL6951193 0.83 ALDH1A1 (0.41) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL6948352 0.82 ALDH1A1 (0.46) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL6956303 0.81 KDM4E (0.41) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL6947498 0.81 CXCR4 (0.43) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL6952068 0.80 ALDH1A1 (0.49) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL6953136 0.80 ALDH1A1 (0.40) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL6950038 0.78 KDM4E (0.41) MEN1KMT2AALDH1A1KDM4EHSD17B10

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