SCHEMBL6437253

SCHEMBL6437253

N#CC(c1ccc(F)c(F)c1)c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
ALDH1A1 P00352 5/20 0.38
MAPT P10636 2/20 0.38
TACR3 P29371 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
HTT P42858 3/20 0.36
LMNA P02545 2/20 0.36
GRM4 Q14833 1/20 0.34
EGFR P00533 1/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 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
SCHEMBL10370952 0.83 ALDH1A1 (0.49) ATML3MBTL1SLC6A2SLC6A4SLC6A3
SCHEMBL11631375 0.80 L3MBTL1 (0.62) ATML3MBTL1SLC6A2SLC6A4SLC6A3
SCHEMBL2132845 0.79 GAA (0.49) ATML3MBTL1SLC6A2SLC6A4SLC6A3
SCHEMBL637183 0.79 SLC6A2 (0.57) ATML3MBTL1SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL28544066 0.78 L3MBTL1 (0.60) ATML3MBTL1SLC6A2SLC6A4SLC6A3
SCHEMBL5429300 0.78 SLC6A2 (0.48) ATMSLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL5055329 0.77 ALDH1A1 (0.53) ATML3MBTL1ALDH1A1MAPTSMN1; SMN2
SCHEMBL11729549 0.76 ALDH1A1 (0.53) ATML3MBTL1SLC6A2SLC6A4SLC6A3
SCHEMBL11632012 0.76 L3MBTL1 (0.43) ATML3MBTL1SLC6A2SLC6A4SLC6A3
SCHEMBL11625524 0.73 GAA (0.48) L3MBTL1SLC6A2SLC6A4SLC6A3ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1224163-B1 USE OF CARBONYLAMINO DERIVATIVES AGAINST CNS DISORDERS HOFFMANN LA ROCHE (CH) 2005-03-30 EP disclosed
US-6548522-B1 N-substituted 2,2-diphenylacetamide or N-substituted 2-phenyl-2-pyridinylacetamide HOFFMANN-LA ROCHE INC. 2003-04-15 US disclosed
EP-1224163-A1 USE OF CARBONYLAMINO DERIVATIVES AGAINST CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-24 EP disclosed
WO-2001027070-A1 USE OF CARBONYLAMINO DERIVATIVES AGAINST CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2001-04-19 WO disclosed