SCHEMBL7691973

SCHEMBL7691973

CC(CO)CC1CN1CCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
SIGMAR1 Q99720 2/20 0.42
SLC18A2 Q05940 1/20 0.42
GBA1 P04062 1/20 0.42
ALDH1A1 P00352 1/20 0.40
OPRM1 P35372 2/20 0.40
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40

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
SCHEMBL7694660 0.82 GAA (0.39) GAASIGMAR1SLC18A2OPRM1OPRD1
SCHEMBL5375336 0.79 GAA (0.59) GAASIGMAR1GBA1
SCHEMBL5556346 0.79 GAA (0.59) GAASIGMAR1GBA1
SCHEMBL7695964 0.74 SLC18A2 (0.56) GAASIGMAR1SLC18A2OPRM1OPRD1
SCHEMBL7692425 0.74 SLC18A2 (0.56) GAASIGMAR1SLC18A2OPRM1OPRD1
SCHEMBL6459875 0.73 POLB (0.48) ALDH1A1
SCHEMBL7693891 0.72 GAA (0.48) GAASIGMAR1OPRM1
SCHEMBL7694900 0.72 GAA (0.48) GAASIGMAR1OPRM1
SCHEMBL7694378 0.72 GAA (0.48) GAASIGMAR1OPRM1
SCHEMBL7694810 0.72 SIGMAR1 (0.52) GAASIGMAR1GBA1ALDH1A1OPRM1

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-2002012184-A1 PROCESS FOR PREPARING ALPHA-AMINO ACIDS AND THEIR DERIVATIVES INCLUDING PHENYLALANINE AND HOMOPHENYLALANINE AND THEIR INTERMEDIATES CHEMBIONEX CO., LTD. (KR) 2002-02-14 WO disclosed