SCHEMBL21035581

SCHEMBL21035581

NC1CCN(C(=O)[C@H]2CN(C(c3ccccc3)c3ccccc3)CCN2S(=O)(=O)c2ccc(OCC3CCCCC3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
MAPT P10636 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
GHSR Q92847 12/20 0.49
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
MMP1 P03956 3/20 0.41
MMP9 P14780 3/20 0.41
MMP13 P45452 3/20 0.41
CPT2 P23786 1/20 0.40
CPT1A P50416 1/20 0.40
MMP3 P08254 2/20 0.39
MMP7 P09237 2/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39

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
SCHEMBL21035361 1.00 LMNA (0.54) LMNAMAPTNPSR1GHSRCNR1
SCHEMBL21035062 0.93 LMNA (0.48) LMNAMAPTNPSR1GHSRCNR1
SCHEMBL21035324 0.90 LMNA (0.43) LMNAMAPTNPSR1GHSRMMP1
SCHEMBL21035356 0.85 LMNA (0.48) LMNAMAPTNPSR1MMP1MMP9
SCHEMBL21035573 0.85 LMNA (0.48) LMNAMAPTNPSR1MMP1MMP9
SCHEMBL21001945 0.83 GHSR (0.45) LMNAMAPTNPSR1GHSRMMP1
SCHEMBL21035633 0.83 GHSR (0.45) LMNAMAPTNPSR1GHSRMMP1
SCHEMBL21002001 0.83 GHSR (0.45) LMNAMAPTNPSR1GHSRMMP1
SCHEMBL21002063 0.82 PSEN1 (0.40) LMNAMAPTNPSR1GHSRMMP1
SCHEMBL21035064 0.82 LMNA (0.45) LMNAMAPTNPSR1MMP1FNTA

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