SCHEMBL15599783

SCHEMBL15599783

OCC1CN(Cc2ccccc2)C[C@H](COCc2ccccc2)O1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.49
FUCA1 P04066 2/20 0.45
S1PR5 Q9H228 1/20 0.44
LMNA P02545 1/20 0.44
HRH4 Q9H3N8 4/20 0.43
HRH3 Q9Y5N1 4/20 0.43
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL2811831 1.00 GBA1 (0.49) GBA1FUCA1S1PR5LMNAHRH4
SCHEMBL17005370 1.00 GBA1 (0.49) GBA1FUCA1S1PR5LMNAHRH4
SCHEMBL11392608 1.00 GBA1 (0.49) GBA1FUCA1S1PR5LMNAHRH4
SCHEMBL17005417 0.84 GBA1 (0.47) GBA1FUCA1S1PR5DRD2DRD4
SCHEMBL17065392 0.84 S1PR5 (0.49) FUCA1S1PR5LMNAHRH3
SCHEMBL11384891 0.83 L3MBTL1 (0.51) GBA1LMNAHRH4HRH3
SCHEMBL17005427 0.82 LMNA (0.46) LMNAHRH4HRH3
SCHEMBL2806983 0.82 LMNA (0.46) LMNAHRH4HRH3
SCHEMBL3128357 0.82 LMNA (0.46) LMNAHRH4HRH3
SCHEMBL8305056 0.82 LMNA (0.50) LMNAHRH4HRH3

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-2014042263-A1 NOVEL RENIN INHIBITOR 田辺三菱製薬株式会社 (JP) 2014-03-20 WO disclosed