SCHEMBL4613644

SCHEMBL4613644

CCC(Oc1ccccc1)C(=O)NCCN(c1ccc(OC)nc1)S(=O)(=O)c1ccccc1C

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.49
HCRTR2 O43614 3/20 0.49
OXTR P30559 10/20 0.42
AVPR2 P30518 1/20 0.41
AVPR1A P37288 1/20 0.41
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 1/20 0.37

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
SCHEMBL4465521 0.86 HCRTR1 (0.55) HCRTR1HCRTR2OXTRAVPR2AVPR1A
SCHEMBL4452216 0.83 HCRTR1 (0.55) HCRTR1HCRTR2OXTRAVPR2AVPR1A
SCHEMBL4459174 0.83 HCRTR1 (0.51) HCRTR1HCRTR2OXTRAVPR2AVPR1A
SCHEMBL4466283 0.82 HCRTR1 (0.52) HCRTR1HCRTR2OXTRAVPR2AVPR1A
SCHEMBL8247448 0.80 HCRTR1 (0.51) HCRTR1HCRTR2OXTRAVPR2AVPR1A
SCHEMBL4467106 0.79 HCRTR2 (0.54) HCRTR1HCRTR2OXTRAVPR2AVPR1A
SCHEMBL4462733 0.77 HCRTR2 (0.59) HCRTR1HCRTR2OXTRAVPR2AVPR1A
SCHEMBL4457670 0.77 HCRTR2 (0.63) HCRTR1HCRTR2OXTRAVPR2AVPR1A
SCHEMBL4459461 0.76 HCRTR1 (0.45) HCRTR1HCRTR2OXTRAVPR2AVPR1A
SCHEMBL4459098 0.76 HCRTR2 (0.60) HCRTR1HCRTR2OXTRAVPR2AVPR1A

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
EP-1912655-A2 AMINOETHANE SULFONAMIDE OREXIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2008-04-23 EP claimed
WO-2007019234-A2 AMINOETHANE SULFONAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-02-15 WO claimed