SCHEMBL6949245

SCHEMBL6949245

CSc1nc(NCCO)c(C#N)c(N2CCc3ccccc3CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.46
ALDH1A1 P00352 7/20 0.46
MAPT P10636 4/20 0.46
GAA P10253 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
GLA P06280 1/20 0.46
ALOX15 P16050 2/20 0.45
CASP1 P29466 2/20 0.45
CASP7 P55210 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
HSD17B10 Q99714 2/20 0.45
USP2 O75604 1/20 0.45
GRIN2D O15399 4/20 0.43
GRIN3B O60391 4/20 0.43
GRIN1 Q05586 4/20 0.43
GRIN2A Q12879 4/20 0.43
GRIN2B Q13224 4/20 0.43
GRIN2C Q14957 4/20 0.43
GRIN3A Q8TCU5 4/20 0.43

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
SCHEMBL4425800 0.86 ALDH1A1 (0.44) KDM4EALDH1A1MAPTGAAKMT2A
SCHEMBL6949437 0.84 KDM4E (0.41) KDM4EALDH1A1MAPTGAAKMT2A
SCHEMBL6955347 0.84 LMNA (0.51) KDM4EALDH1A1GAAGLACASP1
SCHEMBL6951885 0.81 ALDH1A1 (0.46) KDM4EALDH1A1GAAKMT2AGLA
SCHEMBL4414815 0.80 GRM2 (0.39) KDM4EALDH1A1MAPTGAAKMT2A
SCHEMBL6948665 0.78 KDM4E (0.48) KDM4EALDH1A1MAPTGAAKMT2A
SCHEMBL6956595 0.78 KMT2A (0.45) KDM4EALDH1A1MAPTGAAKMT2A
SCHEMBL6949616 0.76 CCNA2 (0.45) KDM4EALDH1A1MAPTGAAKMT2A
SCHEMBL4424088 0.76 GBA1 (0.46) KDM4EALDH1A1MAPTGAAKMT2A
SCHEMBL6949790 0.74 ALDH1A1 (0.41) KDM4EALDH1A1MAPTKMT2AMEN1

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