SCHEMBL21036239

SCHEMBL21036239

NC1CCN(C(=O)[C@H]2CN(Cc3ccc(C4(C(F)(F)F)CC4)cc3)CCN2S(=O)(=O)c2ccc(OCC3CCCCC3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 8/20 0.40
MMP1 P03956 5/20 0.40
MMP13 P45452 5/20 0.40
MMP9 P14780 3/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
ADAM17 P78536 3/20 0.37
GRM2 Q14416 2/20 0.37
KMT2A Q03164 1/20 0.36
AOC2 O75106 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL21035485 1.00 GHSR (0.40) GHSRMMP1MMP13MMP9MMP3
SCHEMBL21035621 0.96 GHSR (0.44) GHSRMMP1MMP13MMP9MMP3
SCHEMBL21035568 0.90 MMP1 (0.43) GHSRMMP1MMP13MMP9MMP3
SCHEMBL21035569 0.90 MMP1 (0.43) GHSRMMP1MMP13MMP9MMP3
SCHEMBL21035360 0.90 MMP1 (0.38) MMP1MMP13MMP9MMP3MMP7
SCHEMBL21035506 0.88 GHSR (0.44) GHSRMMP1MMP13MMP9MMP3
SCHEMBL21035605 0.88 GHSR (0.44) GHSRMMP1MMP13MMP9MMP3
SCHEMBL21035486 0.87 MMP13 (0.39) MMP1MMP13MMP9MMP3MMP7
SCHEMBL21034943 0.87 GHSR (0.47) GHSRMMP1MMP13MMP9MMP3
SCHEMBL21035342 0.86 GHSR (0.47) 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