SCHEMBL27989232

SCHEMBL27989232

CC(C)(C)C(=O)ON1CC(Oc2ccc(F)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 3/20 0.47
LIPC P11150 1/20 0.41
EPHX2 P34913 5/20 0.40
SCN9A Q15858 4/20 0.40
GRIN1 Q05586 2/20 0.40
GRIN2B Q13224 2/20 0.40
ACACB O00763 1/20 0.39
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL28009611 0.81 ALDH1A1 (0.41) EPHX2
SCHEMBL27792539 0.79 RBP4 (0.42)
SCHEMBL28237166 0.78 EPHX2 (0.42) EPHX2GRIN1GRIN2BACACB
SCHEMBL28078708 0.77 CHRM3 (0.41) SCN9AACACB
SCHEMBL16434828 0.77 USP30 (0.52) LIPG
SCHEMBL27721841 0.76 CHRM3 (0.49) EPHX2ACACB
SCHEMBL27911300 0.76 CHRM3 (0.49) EPHX2ACACB
SCHEMBL27874081 0.76 CHRM3 (0.49) EPHX2ACACB
SCHEMBL28328550 0.74 EPHX2 (0.46) EPHX2GRIN1GRIN2B
SCHEMBL27037272 0.74 LIPG (0.39) LIPGLIPCEPHX2ACACB

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
CN-104203928-A Triazinone compound and T-type calcium channel inhibitor NISSAN CHEMICAL IND LTD 2014-12-10 CN disclosed