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SCHEMBL21035569

SCHEMBL21035569

NC1CCN(C(=O)C2CN(Cc3ccc(C(F)(F)F)cc3)CCN2S(=O)(=O)c2ccc(OCC3CCCCC3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 5/20 0.43
▸ ADAM17 P78536 3/20 0.43
▸ GHSR Q92847 7/20 0.42
▸ MMP13 P45452 4/20 0.41
▸ MMP9 P14780 3/20 0.41
▸ MMP3 P08254 1/20 0.41
▸ MMP7 P09237 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ MDH1 P40925 1/20 0.39
▸ MDH2 P40926 1/20 0.39
▸ ADRB2 P07550 1/20 0.39
▸ CA2 P00918 2/20 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
SCHEMBL21035568 1.00 MMP1 (0.43) MMP1ADAM17GHSRMMP13MMP9
SCHEMBL21035605 0.98 GHSR (0.44) MMP1ADAM17GHSRMMP13MMP9
SCHEMBL21035509 0.92 KCNQ1 (0.40) MMP1ADAM17GHSRMMP13MMP9
SCHEMBL21035506 0.90 GHSR (0.44) MMP1ADAM17GHSRMMP13MMP9
SCHEMBL21036239 0.90 GHSR (0.40) MMP1ADAM17GHSRMMP13MMP9
SCHEMBL21035485 0.90 GHSR (0.40) MMP1ADAM17GHSRMMP13MMP9
SCHEMBL21034943 0.89 GHSR (0.47) MMP1GHSRMMP13MMP9MMP3
SCHEMBL21035601 0.89 GHSR (0.47) MMP1ADAM17GHSRMMP13MMP9
SCHEMBL21035342 0.89 GHSR (0.47) MMP1ADAM17GHSRMMP13MMP9
SCHEMBL21035443 0.89 GHSR (0.47) MMP1ADAM17GHSRMMP13MMP9

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