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Sugi Predict / Compounds / SCHEMBL21035381

SCHEMBL21035381

SCHEMBL21035381

NC1CCN(C(=O)[C@@H]2CN(Cc3ccc(-c4ccc(F)cc4)cc3)CCN2S(=O)(=O)c2ccc(OCC3CCCCC3)cc2)CC1(F)F

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 4/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41
▸ MMP1 P03956 1/20 0.39
▸ MMP3 P08254 1/20 0.39
▸ MMP7 P09237 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ ADAM17 P78536 1/20 0.38

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
Trifluoroacetic Acid SCHEMBL21002066 0.96 GHSR (0.39) GHSRSIGMAR1MMP1MMP3MMP7
SCHEMBL21001853 0.94 GHSR (0.41) GHSRMMP1MMP3MMP7MMP9
SCHEMBL21014308 0.94 GHSR (0.41) GHSRMMP1MMP3MMP7MMP9
SCHEMBL21035305 0.94 GHSR (0.41) GHSRMMP1MMP3MMP7MMP9
SCHEMBL21001813 0.94 GHSR (0.41) GHSRMMP1MMP3MMP7MMP9
SCHEMBL21002142 0.92 MMP1 (0.39) GHSRMMP1MMP3MMP7MMP9
SCHEMBL21002239 0.92 MMP1 (0.39) GHSRMMP1MMP3MMP7MMP9
SCHEMBL21035527 0.92 GHSR (0.38) GHSRMMP1MMP3MMP7MMP9
SCHEMBL21002175 0.92 GHSR (0.38) GHSRMMP1MMP3MMP7MMP9
SCHEMBL21002005 0.92 GHSR (0.38) GHSRMMP1MMP3MMP7MMP9

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