SCHEMBL4022146

SCHEMBL4022146

O=C1OC2(CCCCC2)CN1c1cccnn1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 13/20 0.53
GRM5 P41594 5/20 0.52
OPRM1 P35372 2/20 0.40
OPRL1 P41146 1/20 0.40
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL13728908 0.82 NPY5R (0.55) NPY5RGRM5
SCHEMBL3738915 0.82 NPY5R (0.55) NPY5RGRM5
SCHEMBL3738918 0.82 NPY5R (0.55) NPY5RGRM5
SCHEMBL13079376 0.82 GRM5 (0.62) NPY5RGRM5
SCHEMBL3741651 0.81 NPY5R (0.61) NPY5RGRM5
SCHEMBL4020135 0.81 NPY5R (0.61) NPY5RGRM5
SCHEMBL3754556 0.81 NPY5R (0.54) NPY5RGRM5OPRM1OPRL1
SCHEMBL3741649 0.81 NPY5R (0.61) NPY5RGRM5
SCHEMBL4020139 0.81 NPY5R (0.61) NPY5RGRM5
SCHEMBL3004620 0.81 NPY5R (0.54) NPY5RGRM5OPRM1OPRL1

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-2009095377-A1 SPIRO COMPOUNDS AS NPY Y5 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-08-06 WO claimed