SCHEMBL498956

SCHEMBL498956

CC(C)(C)N(C(=O)O)[C@H](CN)C[C@H]1CCCCOC1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.31
PSEN2 P49810 2/20 0.31
APH1B Q8WW43 2/20 0.31
NCSTN Q92542 2/20 0.31
APH1A Q96BI3 2/20 0.31
PSENEN Q9NZ42 2/20 0.31

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
SCHEMBL2028956 0.96 PSEN1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4200774 0.96 PSEN1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2023160 0.85 PSEN1 (0.31) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2326663 0.85 PSEN1 (0.31) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3335352 0.83
SCHEMBL3602843 0.83
SCHEMBL4971449 0.83
SCHEMBL2326418 0.81 MGLL (0.31) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2323495 0.81 MGLL (0.31) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4412655 0.81 MGLL (0.31) 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
US-8106221-B2 Renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed