SCHEMBL27465484

SCHEMBL27465484

CCOC(=O)CCC1NCCc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 17/20 0.51
PRCP P42785 2/20 0.50
OPRK1 P41145 4/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SLC22A1 O15245 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
SCHEMBL7334819 0.87 SMN1; SMN2 (0.57) OPRM1PRCPOPRK1SMN1; SMN2SLC22A1
Hydrochloric Acid SCHEMBL8470673 0.86 SMN1; SMN2 (0.56) OPRM1PRCPOPRK1SMN1; SMN2SLC22A1
SCHEMBL16204777 0.83 OPRM1 (0.43) OPRM1OPRK1
SCHEMBL18586033 0.80 OPRM1 (0.54) OPRM1PRCPOPRK1SMN1; SMN2SLC22A1
SCHEMBL18586549 0.80 OPRM1 (0.54) OPRM1PRCPOPRK1SMN1; SMN2SLC22A1
SCHEMBL23119015 0.79 TSHR (0.60) OPRM1PRCPOPRK1SMN1; SMN2
SCHEMBL4853532 0.79 TSHR (0.60) OPRM1PRCPOPRK1SMN1; SMN2
SCHEMBL8682853 0.78 PRCP (0.41) OPRM1PRCPOPRK1
Hydrochloric Acid SCHEMBL19953531 0.77 TSHR (0.62) OPRM1PRCPOPRK1SMN1; SMN2
Hydrochloric Acid SCHEMBL2790413 0.77 TSHR (0.62) OPRM1PRCPOPRK1SMN1; SMN2

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
CN-1167485-A Tetrahydroisoquinoline derivative and medicinal preparation containing the same TERUMO CORP (JP) 1997-12-10 CN disclosed