SCHEMBL7693290

SCHEMBL7693290

CCCCCCCC1CN1CCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.50
OPRD1 P41143 3/20 0.50
OPRK1 P41145 3/20 0.50
SIGMAR1 Q99720 2/20 0.46
SPHK2 Q9NRA0 2/20 0.46
SPHK1 Q9NYA1 2/20 0.46
CFTR P13569 1/20 0.45

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
SCHEMBL7694810 0.85 SIGMAR1 (0.52) OPRM1OPRD1OPRK1SIGMAR1
SCHEMBL7695964 0.82 SLC18A2 (0.56) OPRM1OPRD1OPRK1SIGMAR1
SCHEMBL7692425 0.82 SLC18A2 (0.56) OPRM1OPRD1OPRK1SIGMAR1
SCHEMBL25059014 0.76 S1PR1 (0.41) SIGMAR1CFTR
SCHEMBL24135089 0.74 S1PR1 (0.38) SIGMAR1CFTR
SCHEMBL5556346 0.74 GAA (0.59) SIGMAR1
SCHEMBL5375336 0.74 GAA (0.59) SIGMAR1
SCHEMBL23780325 0.73 SIGMAR1 (0.54) SIGMAR1
SCHEMBL8678238 0.70 KCNH2 (0.71) SIGMAR1
SCHEMBL57721 0.70 KCNH2 (0.71) 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