SCHEMBL4072253

SCHEMBL4072253

NC[C@H](CC1CCCOC1)OC(N)=O

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.32
▸ 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
SCHEMBL29067937 0.79 ANPEP (0.33) —
SCHEMBL29067935 0.79 ANPEP (0.33) —
SCHEMBL9184 0.72 PSEN1 (0.35) MGLLPSEN1PSEN2APH1BNCSTN
SCHEMBL8001064 0.72 CTSS (0.34) MGLLPSEN1PSEN2APH1BNCSTN
SCHEMBL8206969 0.71 PDE8B (0.30) —
SCHEMBL8007880 0.71 PDE8B (0.30) —
SCHEMBL15049751 0.71 MGLL (0.30) MGLL
SCHEMBL4071173 0.71 CYP2D6 (0.33) —
SCHEMBL2027347 0.71 CYP2D6 (0.33) —
SCHEMBL7887860 0.70 GRIN2D (0.42) —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074108-A1 RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2009-07-01 — — EP disclosed
WO-2008036247-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2008-03-27 — — WO disclosed
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