SCHEMBL848468

SCHEMBL848468

Cc1cc(C(=O)OC(C)(C)C)ccc1CCS(=O)(=O)N1CCC2(CC1)N=C(c1cc(O)cc(C(F)(F)F)c1)N(C(=O)O)C2=O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 7/20 0.37
TACR1 P25103 1/20 0.32
CETP P11597 2/20 0.30
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
SCHEMBL850524 0.95 PTH1R (0.37) PTH1RTACR1CETPADAMTS4MMP2
SCHEMBL16358633 0.92 PTH1R (0.38) PTH1RTACR1CETPADAMTS4MMP2
SCHEMBL16302620 0.92 PTH1R (0.38) PTH1RTACR1CETPADAMTS4MMP2
SCHEMBL16302629 0.91 PTH1R (0.37) PTH1RTACR1CETPADAMTS4MMP2
SCHEMBL849355 0.88 PTH1R (0.35) PTH1RADAMTS4MMP2MMP13MMP14
SCHEMBL851141 0.86 PTH1R (0.47) PTH1RTACR1CETPADAMTS4MMP2
SCHEMBL851594 0.86 PTH1R (0.35) PTH1RTACR1
SCHEMBL16358669 0.85 PTH1R (0.36) PTH1RTACR1
SCHEMBL16358785 0.83 PTH1R (0.36) PTH1RTACR1
SCHEMBL851265 0.83 PTH1R (0.35) 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