SCHEMBL7692425

SCHEMBL7692425

c1ccc(CCC2CN2CCc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC18A2 Q05940 1/20 0.56
SIGMAR1 Q99720 1/20 0.50
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
OPRK1 P41145 1/20 0.49
GAA P10253 1/20 0.49
HRH3 Q9Y5N1 1/20 0.48

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
SCHEMBL7695964 1.00 SLC18A2 (0.56) SLC18A2SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL5556346 0.83 GAA (0.59) SIGMAR1GAAHRH3
SCHEMBL5375336 0.83 GAA (0.59) SIGMAR1GAAHRH3
SCHEMBL7693290 0.82 OPRM1 (0.50) SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL7694810 0.82 SIGMAR1 (0.52) SIGMAR1OPRM1OPRD1OPRK1GAA
SCHEMBL7689651 0.76 SIGMAR1 (0.41) SIGMAR1OPRM1OPRD1OPRK1GAA
SCHEMBL4819317 0.76 SLC18A2 (0.69) SLC18A2
SCHEMBL7691973 0.74 GAA (0.47) SLC18A2SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL5557549 0.73 SIGMAR1 (0.68) SIGMAR1
SCHEMBL5557553 0.73 SIGMAR1 (0.68) SIGMAR1

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