SCHEMBL21035527

SCHEMBL21035527

N[C@@H]1CCN(C(=O)[C@@H]2CN(Cc3ccc(-c4ccc(OC(F)(F)F)cc4)cc3)CCN2S(=O)(=O)c2ccc(OCC3CCCCC3)cc2)CC1(F)F

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 6/20 0.38
MMP1 P03956 5/20 0.38
MMP13 P45452 5/20 0.38
MMP9 P14780 4/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
SCN7A Q01118 1/20 0.37
SCN5A Q14524 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
DPP4 P27487 1/20 0.36
PRKAA2 P54646 1/20 0.36
ADAM17 P78536 2/20 0.36
LSS P48449 1/20 0.35
DRD4 P21917 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
SCHEMBL21002005 1.00 GHSR (0.38) GHSRMMP1MMP13MMP9MMP3
SCHEMBL21002175 1.00 GHSR (0.38) GHSRMMP1MMP13MMP9MMP3
SCHEMBL21002142 0.93 MMP1 (0.39) GHSRMMP1MMP13MMP9MMP3
SCHEMBL21002097 0.93 MMP1 (0.39) GHSRMMP1MMP13MMP9MMP3
SCHEMBL21002239 0.93 MMP1 (0.39) GHSRMMP1MMP13MMP9MMP3
SCHEMBL21035305 0.92 GHSR (0.41) GHSRMMP1MMP13MMP9MMP3
SCHEMBL21014308 0.92 GHSR (0.41) GHSRMMP1MMP13MMP9MMP3
SCHEMBL21035381 0.92 GHSR (0.41) GHSRMMP1MMP13MMP9MMP3
SCHEMBL21001813 0.92 GHSR (0.41) GHSRMMP1MMP13MMP9MMP3
SCHEMBL21001853 0.92 GHSR (0.41) GHSRMMP1MMP13MMP9MMP3

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