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SCHEMBL849355

SCHEMBL849355

C#CCCOc1cc(C2=NC3(CCN(S(=O)(=O)CCc4ccc(C(=O)OC(C)(C)C)cc4C)CC3)C(=O)N2C(=O)O)cc(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTH1R Q03431 7/20 0.35
▸ ADAMTS4 O75173 1/20 0.30
▸ MMP2 P08253 1/20 0.30
▸ MMP13 P45452 1/20 0.30
▸ MMP14 P50281 1/20 0.30
▸ ADAM17 P78536 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
SCHEMBL851265 0.95 PTH1R (0.35) PTH1RADAMTS4MMP2MMP13MMP14
SCHEMBL16302644 0.92 PTH1R (0.35) PTH1RADAMTS4MMP2MMP13MMP14
SCHEMBL13065328 0.91 PTH1R (0.35) PTH1RADAMTS4MMP2MMP13MMP14
SCHEMBL848468 0.88 PTH1R (0.37) PTH1RADAMTS4MMP2MMP13MMP14
SCHEMBL851594 0.85 PTH1R (0.35) PTH1R
SCHEMBL16358785 0.83 PTH1R (0.36) PTH1R
SCHEMBL850524 0.83 PTH1R (0.37) PTH1RADAMTS4MMP2MMP13MMP14
SCHEMBL848683 0.83 PTH1R (0.36) PTH1R
SCHEMBL16302628 0.82 PTH1R (0.36) PTH1R
SCHEMBL16358633 0.81 PTH1R (0.38) PTH1RADAMTS4MMP2MMP13MMP14

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2433940-B9 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2015-10-28 — — EP disclosed
EP-2433940-B1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2014-09-24 — — EP disclosed
EP-2433940-A1 SPIROIMIDAZOLONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-03-28 — — EP disclosed