SCHEMBL8713739

SCHEMBL8713739

CC(OC1CCC(C)(C)CC1c1ncn(C)n1)c1ccc2ccccc2n1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
LTB4R Q15722 2/20 0.30

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
SCHEMBL8717666 0.86 HSD11B1 (0.32)
SCHEMBL8714386 0.82 LTB4R (0.31) LTB4R
SCHEMBL8717846 0.80 ALOX5AP (0.37)
SCHEMBL8713734 0.79 PDE10A (0.39)
SCHEMBL8715307 0.75 LTB4R (0.35) LTB4R
SCHEMBL9241763 0.73 LTB4R (0.32) LTB4R
SCHEMBL8717661 0.72 HRH3 (0.36)
SCHEMBL9244425 0.72 GAA (0.33) LTB4R
SCHEMBL8714480 0.71 SLC18A2 (0.35) OPRM1OPRD1
SCHEMBL8714349 0.67 HSD11B1 (0.35)

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
US-5719291-A FUNGICIDE HOFFMANN-LA ROCHE INC. (US) 1998-02-17 US disclosed