SCHEMBL21035362

SCHEMBL21035362

NC1CCN(C(=O)[C@H]2CN([C@H](c3ccc(C(F)(F)F)cc3)C3CCCC3)CCN2S(=O)(=O)c2ccc(OCC3CCCCC3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
GHSR Q92847 13/20 0.40
MMP1 P03956 2/20 0.38
ADAM17 P78536 1/20 0.38
MAPT P10636 2/20 0.36
LMNA P02545 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
SCHEMBL21002021 1.00 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21002020 1.00 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21002019 1.00 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21035365 1.00 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21001901 1.00 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21002064 1.00 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21035364 1.00 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21002063 1.00 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21035450 0.99 GHSR (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21035444 0.99 GHSR (0.40) PSEN1PSEN2APH1BNCSTNAPH1A

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