SCHEMBL2594867

SCHEMBL2594867

CNC(=O)Cn1nc(S(=O)(=O)Cc2cccc(F)c2)c2ccc(F)cc21

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.45
HCRTR2 O43614 2/20 0.45
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
FPR1 P21462 1/20 0.38
FPR2 P25090 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
RAB9A P51151 1/20 0.36
MAPT P10636 2/20 0.35
MAPK8 P45983 1/20 0.35
POLB P06746 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRM4 Q14833 1/20 0.34

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
SCHEMBL2595050 0.93 HCRTR2 (0.53) HCRTR1HCRTR2LMNASMN1; SMN2NPSR1
SCHEMBL2588992 0.91 HCRTR2 (0.44) HCRTR1HCRTR2LMNASMN1; SMN2NPSR1
SCHEMBL7707104 0.87 HCRTR1 (0.47) HCRTR1HCRTR2LMNASMN1; SMN2NPSR1
SCHEMBL2590272 0.87 SIGMAR1 (0.45) HCRTR1HCRTR2MAPTGRIN2B
SCHEMBL7704817 0.84 SMN1; SMN2 (0.55) HCRTR1HCRTR2LMNASMN1; SMN2NPSR1
SCHEMBL7713640 0.81 HCRTR2 (0.54) HCRTR1HCRTR2PTGDR2MAPTPOLB
SCHEMBL2594744 0.80 HCRTR1 (0.48) HCRTR1HCRTR2MAPTPOLBGRIN2B
SCHEMBL7703519 0.79 HCRTR2 (0.58) HCRTR1HCRTR2LMNASMN1; SMN2NPSR1
SCHEMBL2592050 0.78 THRB (0.46) HCRTR1HCRTR2MAPTPOLBGRIN2B
SCHEMBL7702319 0.77 HCRTR2 (0.47) HCRTR1HCRTR2SMN1; SMN2NPSR1L3MBTL1

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