SCHEMBL16104643

SCHEMBL16104643

CC(C)(C)C1=NC2(CCN([S+]([O-])CCc3cccc4ccccc34)CC2)C(=O)N1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 5/20 0.34
ADRA1A P35348 5/20 0.34
ADRA1B P35368 5/20 0.34
DAO P14920 2/20 0.32
CYP19A1 P11511 1/20 0.31
MAPT P10636 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
TACR1 P25103 1/20 0.31
OPRL1 P41146 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
SLC18A2 Q05940 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GPR84 Q9NQS5 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
SCHEMBL847160 0.80 TACR1 (0.49) ADRA1DADRA1AADRA1BMAPTTACR1
SCHEMBL16302146 0.79 ADRA1D (0.32) ADRA1DADRA1AADRA1BTACR1
SCHEMBL16302136 0.64 DAO (0.40) ADRA1DADRA1AADRA1BDAOMAPT
SCHEMBL13342745 0.56 GRIN2D (0.46) ALDH1A1TSHR
SCHEMBL3047898 0.56 CYP1A2 (0.62) DAOALDH1A1TSHRTDP1
SCHEMBL16358059 0.54 ADRA1D (0.56) ADRA1DADRA1AADRA1BDAO
SCHEMBL11808887 0.53 GRM2 (0.49) SLC18A2TDP1
SCHEMBL66918 0.53 CYP1A2 (0.55) SLC18A2TDP1
SCHEMBL27549 0.53 CYP1A2 (0.54) DAOMAPTALDH1A1TDP1
Iodide SCHEMBL27615487 0.53 CYP1A2 (0.55) MAPTALDH1A1TDP1

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