SCHEMBL7712431

SCHEMBL7712431

CN(Cc1cccc(Cl)c1)C(=O)Cn1nc(S(=O)(=O)Cc2ccccc2)c2ccc(F)cc21

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 6/20 0.66
HCRTR1 O43613 5/20 0.66
POLB P06746 1/20 0.46
LMNA P02545 1/20 0.42
MAPT P10636 2/20 0.41
TSPO P30536 3/20 0.40
AOC3 Q16853 1/20 0.39
KMT2A Q03164 2/20 0.37
RIPK1 Q13546 1/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL7713631 0.97 HCRTR2 (0.61) HCRTR2HCRTR1POLBLMNAMAPT
SCHEMBL7703519 0.95 HCRTR2 (0.58) HCRTR2HCRTR1POLBLMNAMAPT
SCHEMBL7702650 0.92 HCRTR2 (0.78) HCRTR2HCRTR1POLBLMNAMAPT
SCHEMBL7707208 0.90 HCRTR2 (0.81) HCRTR2HCRTR1POLBLMNAMAPT
SCHEMBL7704867 0.80 HCRTR2 (1.00) HCRTR2HCRTR1POLBLMNAMAPT
SCHEMBL7713640 0.80 HCRTR2 (0.54) HCRTR2HCRTR1POLBMAPT
SCHEMBL7707974 0.78 HCRTR2 (0.53) HCRTR2HCRTR1POLBLMNAKMT2A
SCHEMBL2595050 0.78 HCRTR2 (0.53) HCRTR2HCRTR1POLBLMNAMAPT
SCHEMBL7711206 0.77 HCRTR2 (0.55) HCRTR2HCRTR1POLBMAPT
SCHEMBL7707104 0.76 HCRTR1 (0.47) HCRTR2HCRTR1LMNAMAPT

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