SCHEMBL4755135

SCHEMBL4755135

CC(C)CC1CCNCC1O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 9/20 0.35
MAN1B1 Q9UKM7 1/20 0.35
GAA P10253 2/20 0.33
GLB1 P16278 2/20 0.33
PYGL P06737 1/20 0.33
GBA2 Q9HCG7 1/20 0.33
KCNH2 Q12809 1/20 0.32
FUCA1 P04066 2/20 0.32
GLA P06280 2/20 0.32

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
SCHEMBL12536231 1.00 GBA1 (0.35) GBA1MAN1B1GAAGLB1PYGL
SCHEMBL5868689 0.86 GBA1 (0.32) GBA1GAAGLB1PYGLGBA2
SCHEMBL21408888 0.83 GBA1 (0.45) GBA1MAN1B1GAAGLB1PYGL
SCHEMBL956100 0.83 GBA1 (0.45) GBA1MAN1B1GAAGLB1PYGL
SCHEMBL21408911 0.83 GBA1 (0.45) GBA1MAN1B1GAAGLB1PYGL
SCHEMBL956099 0.83 GBA1 (0.45) GBA1MAN1B1GAAGLB1PYGL
SCHEMBL9901175 0.78
SCHEMBL26734347 0.78
SCHEMBL12536900 0.78
SCHEMBL26734150 0.78

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-2008156832-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2008-12-24 WO disclosed