SCHEMBL16358596

SCHEMBL16358596

C=C1NC([C@H]2CC[C@H](CC=C(F)F)CC2)=NC12CCN(S(=O)(=O)CCc1ccc(C(=O)N3CCC(F)(CO)CC3)cc1C)CC2

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 6/20 0.44
ADAMTS4 O75173 1/20 0.30
ADAMTS5 Q9UNA0 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
SCHEMBL849400 0.93 PTH1R (0.53) PTH1RADAMTS4ADAMTS5
SCHEMBL13553382 0.93 PTH1R (0.53) PTH1RADAMTS4ADAMTS5
SCHEMBL13064696 0.84 PTH1R (0.53) PTH1RADAMTS4ADAMTS5
SCHEMBL849146 0.84 PTH1R (0.53) PTH1RADAMTS4ADAMTS5
SCHEMBL13553380 0.81 PTH1R (0.58) PTH1RADAMTS4ADAMTS5
SCHEMBL851294 0.81 PTH1R (0.58) PTH1RADAMTS4ADAMTS5
SCHEMBL13553376 0.79 PTH1R (0.58) PTH1RADAMTS4ADAMTS5
SCHEMBL848923 0.79 PTH1R (0.58) PTH1RADAMTS4ADAMTS5
SCHEMBL13553381 0.79 PTH1R (0.58) PTH1RADAMTS4ADAMTS5
SCHEMBL17437740 0.79 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