SCHEMBL8449245

SCHEMBL8449245

CC(CN)c1ccc(Cl)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.50
GABBR1 Q9UBS5 1/20 0.50
TAAR1 Q96RJ0 2/20 0.39
LOXL2 Q9Y4K0 1/20 0.36
WRN Q14191 1/20 0.33
F2 P00734 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
GSK3B P49841 1/20 0.31
TSHR P16473 1/20 0.30
SCN4A P35499 2/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30

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
SCHEMBL14295828 0.81 GABBR2 (0.40) GABBR2GABBR1WRNF2CYP3A4
SCHEMBL4706414 0.79 GABBR2 (0.39) GABBR2GABBR1WRNCYP3A4CYP2D6
SCHEMBL4702219 0.79 GABBR2 (0.42) GABBR2GABBR1WRNF2CYP3A4
SCHEMBL25386903 0.79 GABBR2 (0.42) GABBR2GABBR1WRNF2CYP3A4
SCHEMBL5264377 0.77 ALOX5 (0.44) TAAR1LOXL2TP53MAPTSCN4A
SCHEMBL1239420 0.76
SCHEMBL17459297 0.75 GABBR2 (0.54) GABBR2GABBR1TAAR1WRNF2
SCHEMBL680633 0.75
SCHEMBL12204156 0.75 GABBR2 (0.40) GABBR2GABBR1WRNF2CYP3A4
Hydrochloric Acid SCHEMBL3707991 0.74 GABBR2 (0.41) GABBR2GABBR1WRNF2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0909270-A1 PROCESS FOR PREPARING 2,4-DIHYDROXYPYRIDINE AND 2,4-DIHYDROXY-3-NITROPYRIDINE RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-04-21 EP disclosed
EP-0909270-A4 1999-04-21 EP disclosed
WO-1997024327-A1 PROCESS FOR PREPARING 2,4-DIHYDROXYPYRIDINE AND 2,4-DIHYDROXY-3-NITROPYRIDINE RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-07-10 WO disclosed
EP-0690857-A1 CYCLIC AMIDE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND HERBICIDAL COMPOSITIONS CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 1996-01-10 EP disclosed
WO-1994013665-A1 CYCLIC AMIDE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND HERBICIDAL COMPOSITIONS CONTAINING THEM ISHIHARA SANGYO KAISHA LTD. (JP) 1994-06-23 WO disclosed