SCHEMBL21944975

SCHEMBL21944975

OCc1cc(O[C@H]2CC3C[C@H]3C2)ccn1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 16/20 0.52
OPRK1 P41145 2/20 0.37
KCNH2 Q12809 2/20 0.37
OPRM1 P35372 1/20 0.35

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
SCHEMBL17303860 1.00 LNPEP (0.52) LNPEPOPRK1KCNH2OPRM1
SCHEMBL21944976 1.00 LNPEP (0.52) LNPEPOPRK1KCNH2OPRM1
SCHEMBL17303644 0.84 LNPEP (0.49) LNPEPOPRK1KCNH2
SCHEMBL18716503 0.84 LNPEP (0.49) LNPEPOPRK1KCNH2
SCHEMBL21944433 0.84 LNPEP (0.49) LNPEPOPRK1KCNH2
SCHEMBL23554564 0.81 LNPEP (0.38) LNPEP
SCHEMBL13802796 0.81 LNPEP (0.52) LNPEP
SCHEMBL18686910 0.79 LNPEP (0.54) LNPEPOPRK1KCNH2
SCHEMBL17303876 0.79 LNPEP (0.53) LNPEP
SCHEMBL17303863 0.79 LNPEP (0.55) LNPEP

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
EP-3150581-B1 PYRIDINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2020-04-15 EP disclosed