SCHEMBL7709453

SCHEMBL7709453

Cc1c(S(=O)(=O)Cc2ccc(F)cc2)c2ccccn2c1CC(=O)N(C)Cc1ccc(F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 7/20 1.00
HCRTR1 O43613 6/20 1.00
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
TSPO P30536 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
PTGDR Q13258 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL7710901 0.98 HCRTR2 (1.00) HCRTR2HCRTR1MAPTKMT2ATSPO
SCHEMBL7701854 0.93 HCRTR2 (0.86) HCRTR2HCRTR1MAPTKMT2ATSPO
SCHEMBL7707423 0.92 HCRTR2 (1.00) HCRTR2HCRTR1MAPTKMT2ATSPO
SCHEMBL7709056 0.90 HCRTR2 (0.82) HCRTR2HCRTR1MAPTKMT2ATSPO
SCHEMBL2594270 0.86 HCRTR2 (0.75) HCRTR2HCRTR1MAPTKMT2AL3MBTL1
SCHEMBL7707551 0.83 HCRTR2 (0.71) HCRTR2HCRTR1MAPTKMT2ATSPO
SCHEMBL7707649 0.83 HCRTR2 (0.82) HCRTR2HCRTR1MAPTTSPOALDH1A1
SCHEMBL2588741 0.83 HCRTR2 (0.71) HCRTR2HCRTR1MAPTKMT2AL3MBTL1
SCHEMBL2585096 0.78 HCRTR2 (0.74) HCRTR2HCRTR1MAPTKMT2AL3MBTL1
SCHEMBL7709292 0.77 HCRTR2 (1.00) HCRTR2HCRTR1MAPTKMT2ATSPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011138266-A1 INDOLIZINE AND IMIDAZOPYRIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2011-11-10 WO disclosed