SCHEMBL16358689

SCHEMBL16358689

CC(=O)Nc1ccc(CCS(=O)(=O)N2CCC3(CC2)N=C([C@H]2CC[C@@H](CC(C)(F)F)CC2)NC3=O)c(C)c1

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTH1R Q03431 12/20 0.78
▸ CALCRL Q16602 2/20 0.32
▸ ADAMTS4 O75173 2/20 0.32
▸ ADAMTS5 Q9UNA0 2/20 0.32
▸ TRPV1 Q8NER1 1/20 0.32
▸ MMP2 P08253 1/20 0.32
▸ MMP9 P14780 1/20 0.32
▸ MMP13 P45452 1/20 0.32

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
SCHEMBL848077 0.95 PTH1R (0.80) PTH1RCALCRLADAMTS4ADAMTS5TRPV1
SCHEMBL879961 0.95 PTH1R (0.80) PTH1RCALCRLADAMTS4ADAMTS5TRPV1
SCHEMBL13555100 0.94 PTH1R (0.77) PTH1RCALCRLADAMTS4ADAMTS5TRPV1
SCHEMBL13064860 0.94 PTH1R (0.77) PTH1RCALCRLADAMTS4ADAMTS5TRPV1
SCHEMBL847860 0.94 PTH1R (0.77) PTH1RCALCRLADAMTS4ADAMTS5TRPV1
SCHEMBL13555167 0.92 PTH1R (0.82) PTH1RCALCRLADAMTS4ADAMTS5MMP2
SCHEMBL13555152 0.92 PTH1R (0.82) PTH1RCALCRLADAMTS4ADAMTS5MMP2
SCHEMBL849537 0.92 PTH1R (0.82) PTH1RCALCRLADAMTS4ADAMTS5MMP2
SCHEMBL848053 0.91 PTH1R (0.81) PTH1RCALCRLTRPV1
SCHEMBL847792 0.91 PTH1R (0.82) PTH1RCALCRLTRPV1

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
Send feedback