SCHEMBL13204752

SCHEMBL13204752

CCOc1cc(NC(=O)N2CCC(NS(=O)(=O)C(C)C)CC2)ccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.47
EPHX2 P34913 7/20 0.47
SLC6A3 Q01959 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.41

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
SCHEMBL10116174 0.90 TRPV1 (0.47) TRPV1EPHX2SLC6A3L3MBTL1
SCHEMBL10115839 0.88 TRPV1 (0.47) TRPV1EPHX2SLC6A3L3MBTL1POLB
SCHEMBL10116166 0.87 EPHX2 (0.48) EPHX2SLC6A3
SCHEMBL13222652 0.86 L3MBTL1 (0.44) EPHX2L3MBTL1
SCHEMBL10116067 0.85 EPHX2 (0.48) TRPV1EPHX2SLC6A3
SCHEMBL10116091 0.83 SLC6A3 (0.51) EPHX2SLC6A3
SCHEMBL10116172 0.80 EPHX2 (0.52) EPHX2
SCHEMBL10115896 0.80 L3MBTL1 (0.61) L3MBTL1
SCHEMBL10114622 0.79 EPHX2 (0.57) TRPV1EPHX2
SCHEMBL10116041 0.78 EPHX2 (0.57) TRPV1EPHX2

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
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 US disclosed