SCHEMBL7711206

SCHEMBL7711206

O=C(Cn1nc(S(=O)(=O)Cc2ccccc2)c2ccc(F)cc21)N(Cc1ccc(F)cc1)C1CC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 5/20 0.55
HCRTR1 O43613 4/20 0.55
OPRM1 P35372 6/20 0.44
TMEM97 Q5BJF2 2/20 0.44
AGER Q15109 2/20 0.40
MTNR1A P48039 1/20 0.40
TAS2R14 Q9NYV8 1/20 0.38
CFD P00746 1/20 0.37
DPP4 P27487 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 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
SCHEMBL7712435 0.96 HCRTR2 (0.48) HCRTR2HCRTR1OPRM1TMEM97CFD
SCHEMBL7707039 0.94 HCRTR2 (0.47) HCRTR2HCRTR1OPRM1TMEM97AGER
SCHEMBL7702650 0.83 HCRTR2 (0.78) HCRTR2HCRTR1POLBMAPT
SCHEMBL7713640 0.81 HCRTR2 (0.54) HCRTR2HCRTR1POLBMAPT
SCHEMBL2594744 0.80 HCRTR1 (0.48) HCRTR2HCRTR1POLBMAPT
SCHEMBL7702319 0.80 HCRTR2 (0.47) HCRTR2HCRTR1POLBMAPT
SCHEMBL2592050 0.78 THRB (0.46) HCRTR2HCRTR1POLBMAPT
SCHEMBL7707974 0.77 HCRTR2 (0.53) HCRTR2HCRTR1POLB
SCHEMBL7712431 0.77 HCRTR2 (0.66) HCRTR2HCRTR1POLBMAPT
SCHEMBL7713631 0.77 HCRTR2 (0.61) HCRTR2HCRTR1POLBMAPT

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-2011138265-A2 INDOLE AND INDAZOLE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2011-11-10 WO disclosed