SCHEMBL7709772

SCHEMBL7709772

CN(Cc1ccccc1)C(=O)Cn1cc(S(=O)(=O)Cc2ccccc2)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 4/20 1.00
HCRTR2 O43614 4/20 1.00
POLB P06746 8/20 0.67
LMNA P02545 3/20 0.67
THRB P10828 1/20 0.67
HTR6 P50406 1/20 0.63
MAPT P10636 5/20 0.62
MEN1 O00255 2/20 0.62
ALDH1A1 P00352 2/20 0.62
KMT2A Q03164 2/20 0.62
KDM4E B2RXH2 1/20 0.62
TSPO P30536 1/20 0.57
ATM Q13315 1/20 0.53
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL7703511 0.95 HCRTR1 (0.90) HCRTR1HCRTR2POLBLMNATHRB
SCHEMBL7703516 0.95 HCRTR1 (0.90) HCRTR1HCRTR2POLBLMNATHRB
SCHEMBL7711063 0.94 HCRTR1 (0.96) HCRTR1HCRTR2POLBLMNATHRB
SCHEMBL7702434 0.94 HCRTR1 (0.88) HCRTR1HCRTR2POLBLMNATHRB
SCHEMBL2594733 0.94 HCRTR1 (0.96) HCRTR1HCRTR2POLBLMNATHRB
SCHEMBL7712438 0.92 HCRTR1 (0.85) HCRTR1HCRTR2POLBLMNATHRB
SCHEMBL7707718 0.91 HCRTR1 (1.00) HCRTR1HCRTR2POLBLMNATHRB
SCHEMBL7712442 0.91 HCRTR1 (0.83) HCRTR1HCRTR2POLBLMNATHRB
SCHEMBL7704054 0.91 HCRTR1 (0.83) HCRTR1HCRTR2POLBLMNATHRB
SCHEMBL7704850 0.90 HCRTR1 (0.81) HCRTR1HCRTR2POLBLMNATHRB

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