SCHEMBL21035447

SCHEMBL21035447

NC1CCN(C(=O)C2CN(C(c3ccc(C(F)(F)F)cc3)C3CC3)CCN2S(=O)(=O)c2ccc(OCC3CCCCC3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 13/20 0.40
PSEN1 P49768 2/20 0.38
PSEN2 P49810 2/20 0.38
APH1B Q8WW43 2/20 0.38
NCSTN Q92542 2/20 0.38
APH1A Q96BI3 2/20 0.38
PSENEN Q9NZ42 2/20 0.38
MMP1 P03956 2/20 0.38
ADAM17 P78536 1/20 0.38
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CA2 P00918 2/20 0.35
MMP3 P08254 1/20 0.35
MMP7 P09237 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 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
SCHEMBL21035444 1.00 GHSR (0.40) GHSRPSEN1PSEN2APH1BNCSTN
SCHEMBL21035450 1.00 GHSR (0.40) GHSRPSEN1PSEN2APH1BNCSTN
SCHEMBL21035364 0.99 PSEN1 (0.40) GHSRPSEN1PSEN2APH1BNCSTN
SCHEMBL21035365 0.99 PSEN1 (0.40) GHSRPSEN1PSEN2APH1BNCSTN
SCHEMBL21002020 0.99 PSEN1 (0.40) GHSRPSEN1PSEN2APH1BNCSTN
SCHEMBL21002021 0.99 PSEN1 (0.40) GHSRPSEN1PSEN2APH1BNCSTN
SCHEMBL21035362 0.99 PSEN1 (0.40) GHSRPSEN1PSEN2APH1BNCSTN
SCHEMBL21002063 0.99 PSEN1 (0.40) GHSRPSEN1PSEN2APH1BNCSTN
SCHEMBL21002064 0.99 PSEN1 (0.40) GHSRPSEN1PSEN2APH1BNCSTN
SCHEMBL21002019 0.99 PSEN1 (0.40) GHSRPSEN1PSEN2APH1BNCSTN

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