SCHEMBL8714386

SCHEMBL8714386

CC(OC1CCC(C)(C)CC1c1nccn1C)c1ccc2ccccc2n1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.31
PDE10A Q9Y233 1/20 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
SCHEMBL8713739 0.82 OPRM1 (0.31) LTB4R
SCHEMBL8717767 0.80 ALOX5AP (0.37) PDE10A
SCHEMBL8714391 0.79 PDE10A (0.38) PDE10A
SCHEMBL8715307 0.78 LTB4R (0.35) LTB4RPDE10A
SCHEMBL9241763 0.77 LTB4R (0.32) LTB4R
SCHEMBL9244425 0.73 GAA (0.33) LTB4R
SCHEMBL8714994 0.71 SLC18A2 (0.36)
SCHEMBL8717666 0.67 HSD11B1 (0.32)
SCHEMBL9243678 0.66 CYP19A1 (0.31) LTB4R
SCHEMBL9244571 0.65 ALDH1A1 (0.34) LTB4R

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