SCHEMBL2592900

SCHEMBL2592900

O=C(Cn1cc(S(=O)(=O)Cc2ccc(F)cc2)c2ccccc21)NCc1ccc(F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 1.00
HCRTR2 O43614 2/20 1.00
POLB P06746 11/20 0.81
MAPT P10636 10/20 0.81
THRB P10828 2/20 0.78
LMNA P02545 3/20 0.70
TP53 P04637 2/20 0.70
BLM P54132 1/20 0.65
KDM4E B2RXH2 1/20 0.64
MEN1 O00255 1/20 0.64
ALDH1A1 P00352 1/20 0.64
KMT2A Q03164 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.59

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
SCHEMBL2594616 0.91 HCRTR1 (0.83) HCRTR1HCRTR2POLBMAPTTHRB
SCHEMBL2588313 0.86 HCRTR1 (0.76) HCRTR1HCRTR2POLBMAPTTHRB
SCHEMBL2591711 0.85 HCRTR1 (0.74) HCRTR1HCRTR2POLBMAPTTHRB
SCHEMBL2592510 0.81 L3MBTL1 (0.70) HCRTR1HCRTR2POLBMAPTTHRB
SCHEMBL2592644 0.81 HCRTR1 (0.70) HCRTR1HCRTR2POLBMAPTTHRB
SCHEMBL7707718 0.80 HCRTR1 (1.00) HCRTR1HCRTR2POLBMAPTTHRB
SCHEMBL7711063 0.78 HCRTR1 (0.96) HCRTR1HCRTR2POLBMAPTTHRB
SCHEMBL2594733 0.78 HCRTR1 (0.96) HCRTR1HCRTR2POLBMAPTTHRB
SCHEMBL2596036 0.77 POLB (0.73) HCRTR1HCRTR2POLBMAPTTHRB
SCHEMBL27249973 0.74 L3MBTL1 (1.00) HCRTR1HCRTR2POLBMAPTTHRB

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