SCHEMBL17090144

SCHEMBL17090144

Cc1cc(NC[C@H]2CC[C@H](NS(=O)(=O)C(C)C)CC2)cc(F)c1N1C[C@@H](C)O[C@@H](C)C1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 11/20 0.35
GRIA2 P42262 1/20 0.31
LRRK2 Q5S007 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
SCHEMBL13565939 1.00 NPY5R (0.35) NPY5RGRIA2LRRK2
SCHEMBL13565567 0.94 NPY5R (0.37) NPY5RGRIA2LRRK2
SCHEMBL17090016 0.94 NPY5R (0.37) NPY5RGRIA2LRRK2
SCHEMBL17090379 0.93 NPY5R (0.33) NPY5RGRIA2
SCHEMBL13566008 0.93 NPY5R (0.33) NPY5RGRIA2
SCHEMBL13565162 0.84 USP30 (0.39) NPY5R
SCHEMBL17090184 0.84 USP30 (0.39) NPY5R
SCHEMBL17090019 0.83 KDM4E (0.37) NPY5R
SCHEMBL13564866 0.83 KDM4E (0.37) NPY5R
SCHEMBL11936247 0.83 NPY5R (0.36) NPY5RGRIA2LRRK2

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