SCHEMBL6485332

SCHEMBL6485332

O=S(=O)(Nc1ccc2c(OCc3ccc(-c4ccc(F)cc4)cc3F)cccc2c1)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
KDM1A O60341 1/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 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
SCHEMBL6482915 0.95 CYSLTR2 (0.43) CYSLTR2CYSLTR1KDM1AIDO1TDO2
SCHEMBL6475547 0.93 CYSLTR2 (0.39) CYSLTR2CYSLTR1
SCHEMBL6484332 0.93 KIF11 (0.40) CYSLTR2CYSLTR1
SCHEMBL6476335 0.92 EPHX2 (0.42) CYSLTR2CYSLTR1IDO1TDO2
SCHEMBL6477763 0.92 IDO1 (0.41) CYSLTR2CYSLTR1IDO1TDO2
SCHEMBL6483514 0.91 CYP3A4 (0.40) CYSLTR2CYSLTR1
SCHEMBL6477739 0.89 CYSLTR2 (0.40) CYSLTR2CYSLTR1KDM1AIDO1TDO2
SCHEMBL6487120 0.88 CYSLTR2 (0.44) CYSLTR2CYSLTR1IDO1TDO2
SCHEMBL6488956 0.87 AGXT (0.42) CYSLTR2CYSLTR1KDM1A
SCHEMBL6489349 0.87 CYSLTR2 (0.42) CYSLTR2CYSLTR1

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-6933322-B2 Substituted naphthylenes for the treatment of non-insulin dependent diabetes mellitus WYETH (US) 2005-08-23 US disclosed