SCHEMBL7704867

SCHEMBL7704867

CN(Cc1ccccc1)C(=O)Cn1nc(S(=O)(=O)Cc2ccccc2)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 6/20 1.00
HCRTR1 O43613 5/20 1.00
TSPO P30536 1/20 0.56
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
POLB P06746 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL7707208 0.90 HCRTR2 (0.81) HCRTR2HCRTR1TSPOLMNAMAPT
SCHEMBL7702650 0.88 HCRTR2 (0.78) HCRTR2HCRTR1TSPOALDH1A1KDM4E
SCHEMBL7708626 0.83 HCRTR1 (0.71) HCRTR2HCRTR1ALDH1A1KDM4ELMNA
SCHEMBL7708409 0.81 HCRTR1 (0.68) HCRTR2HCRTR1ALDH1A1KDM4ELMNA
SCHEMBL7712431 0.80 HCRTR2 (0.66) HCRTR2HCRTR1TSPOLMNAMAPT
SCHEMBL7709772 0.76 HCRTR1 (1.00) HCRTR2HCRTR1TSPOALDH1A1KDM4E
SCHEMBL7713631 0.76 HCRTR2 (0.61) HCRTR2HCRTR1TSPOALDH1A1LMNA
SCHEMBL7703519 0.74 HCRTR2 (0.58) HCRTR2HCRTR1TSPOALDH1A1LMNA
SCHEMBL7703516 0.72 HCRTR1 (0.90) HCRTR2HCRTR1TSPOALDH1A1KDM4E
SCHEMBL7703511 0.72 HCRTR1 (0.90) HCRTR2HCRTR1TSPOALDH1A1KDM4E

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