SCHEMBL16359028

SCHEMBL16359028

Cc1cc(C(=O)O)cc(C)c1/C=C/[S@+]([O-])N1CCC2(CC1)N=C(c1ccc(F)c(C(F)(F)F)c1)NC2=O

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 6/20 0.35
KMO O15229 2/20 0.33
TRPM8 Q7Z2W7 1/20 0.32
AR P10275 1/20 0.30

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
SCHEMBL16302457 0.90 PTH1R (0.33) PTH1RAR
SCHEMBL16302445 0.88 PTH1R (0.34) PTH1RAR
SCHEMBL16302310 0.88 PTH1R (0.34) PTH1R
SCHEMBL13064557 0.85 PTH1R (0.40) PTH1RKMOTRPM8AR
SCHEMBL850838 0.85 PTH1R (0.40) PTH1RKMOTRPM8AR
SCHEMBL16358983 0.85 PTH1R (0.48) PTH1RAR
SCHEMBL16358600 0.82 PTH1R (0.34) PTH1R
SCHEMBL16358383 0.80 PTH1R (0.33) PTH1RKMO
SCHEMBL16358986 0.79 AR (0.36) PTH1RKMOAR
SCHEMBL16358349 0.79 TYK2 (0.32) PTH1R

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-2010126030-A1 SPIROIMIDAZOLONE DERIVATIVE 中外製薬株式会社 (JP) 2010-11-04 WO disclosed