SCHEMBL17090396

SCHEMBL17090396

Cc1c(N2C[C@@H](C)O[C@@H](C)C2)ccc(NC[C@H]2CC[C@H](NS(=O)(=O)C(C)C)CC2)c1F

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 15/20 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
SCHEMBL13565928 1.00 NPY5R (0.36) NPY5R
SCHEMBL13565905 0.93 NPY5R (0.37) NPY5R
SCHEMBL17090240 0.93 NPY5R (0.37) NPY5R
SCHEMBL13565437 0.92 NPY5R (0.35) NPY5R
SCHEMBL17090158 0.92 NPY5R (0.35) NPY5R
SCHEMBL17090229 0.86 NPY5R (0.43) NPY5R
SCHEMBL13564888 0.86 NPY5R (0.43) NPY5R
SCHEMBL13564881 0.84 LRRK2 (0.37) NPY5R
SCHEMBL17090206 0.84 LRRK2 (0.37) NPY5R
SCHEMBL14424112 0.83 MAPT (0.39) NPY5R

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-9139518-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-09-22 US disclosed