SCHEMBL16358796

SCHEMBL16358796

CC(C)(C)ONCc1ccc(/C=C/S(=O)(=O)N2CCC3(CC2)N=C(C2CCCCC2)NC3=O)c(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 9/20 0.42
HPGD P15428 1/20 0.30
S1PR1 P21453 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
SCHEMBL849946 0.89 PTH1R (0.42) PTH1R
SCHEMBL16302172 0.86 PTH1R (0.40) PTH1RHPGDS1PR1
SCHEMBL16357936 0.83 PTH1R (0.46) PTH1R
SCHEMBL13386014 0.82 PTH1R (0.41) PTH1R
SCHEMBL850389 0.81 PTH1R (0.46) PTH1R
SCHEMBL850388 0.81 PTH1R (0.46) PTH1R
SCHEMBL847225 0.81 PTH1R (0.41) PTH1RHPGD
SCHEMBL847226 0.81 PTH1R (0.41) PTH1RHPGD
SCHEMBL18211326 0.80 PTH1R (0.51) PTH1R
Cyclopropane SCHEMBL16087525 0.80 PTH1R (0.51) 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