SCHEMBL21035636

SCHEMBL21035636

CC(C)(C)OC(=O)NC1CCN(C(=O)[C@@H]2CN(Cc3ccc(-c4ccc(OC(F)(F)F)cc4)nc3)CCN2S(=O)(=O)c2ccc(OCC3CCCCC3)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.39
MMP1 P03956 6/20 0.37
MMP13 P45452 6/20 0.37
MMP9 P14780 4/20 0.37
ADAM17 P78536 3/20 0.37
EPHX2 P34913 1/20 0.37
PRKAA2 P54646 3/20 0.36
SCN9A Q15858 1/20 0.36
TRPA1 O75762 1/20 0.35
HDAC1 Q13547 1/20 0.35
MMP3 P08254 1/20 0.35
MMP7 P09237 1/20 0.35
NAMPT P43490 1/20 0.35
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35
CHRM4 P08173 1/20 0.35

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
SCHEMBL21034960 0.97 GPR119 (0.40) GPR119MMP1MMP13MMP9ADAM17
SCHEMBL21035508 0.94 SCN9A (0.41) GPR119MMP1MMP13MMP9ADAM17
SCHEMBL21035641 0.94 GPR119 (0.39) GPR119MMP1MMP13MMP9ADAM17
SCHEMBL21035503 0.94 EPHX2 (0.39) MMP1MMP13MMP9ADAM17EPHX2
SCHEMBL21036229 0.93 GPR119 (0.39) GPR119MMP1MMP13MMP9ADAM17
SCHEMBL21034973 0.92 GPR119 (0.39) GPR119MMP1MMP13MMP9ADAM17
SCHEMBL21035090 0.91 GPR119 (0.40) GPR119MMP1MMP13MMP9ADAM17
SCHEMBL21035530 0.89 MMP1 (0.39) MMP1MMP13MMP9ADAM17PRKAA2
SCHEMBL21035638 0.88 GHSR (0.40) MMP1MMP13MMP9ADAM17PRKAA2
SCHEMBL21035604 0.88 SCN9A (0.39) MMP1MMP13MMP9ADAM17SCN9A

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-2019104011-A1 CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2019-05-31 WO disclosed