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SCHEMBL850402

SCHEMBL850402

CC(=O)OCC[C@@H](CC(=O)O)N(C(C)=O)c1ccc(CCS(=O)(=O)N2CCC3(CC2)N=C(c2ccc(C(F)(F)F)cc2)NC3=O)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTH1R Q03431 11/20 0.48
▸ ADAMTS4 O75173 1/20 0.30
▸ ADAMTS5 Q9UNA0 1/20 0.30
▸ PPARD Q03181 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
SCHEMBL851205 0.92 PTH1R (0.45) PTH1R
SCHEMBL16087551 0.85 PTH1R (0.51) PTH1RADAMTS4ADAMTS5
SCHEMBL16087550 0.82 PTH1R (0.52) PTH1RADAMTS4ADAMTS5
SCHEMBL16087640 0.82 PTH1R (0.51) PTH1RADAMTS4ADAMTS5
SCHEMBL849437 0.82 PTH1R (0.49) PTH1RADAMTS4ADAMTS5
SCHEMBL844437 0.77 PTH1R (0.54) PTH1RADAMTS4ADAMTS5
SCHEMBL16087558 0.77 PTH1R (0.47) PTH1R
SCHEMBL16087649 0.76 PTH1R (0.46) PTH1RADAMTS4ADAMTS5
SCHEMBL848373 0.75 PTH1R (0.45) PTH1R
SCHEMBL848899 0.75 PTH1R (0.54) 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
EP-2433940-A1 SPIROIMIDAZOLONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-03-28 — — EP disclosed