SCHEMBL17090206

SCHEMBL17090206

CC(C)S(=O)(=O)N[C@H]1CC[C@H](CNc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2F)CC1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 6/20 0.37
NPY5R Q15761 8/20 0.36
TRPV1 Q8NER1 1/20 0.34
GRIA2 P42262 1/20 0.33

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
SCHEMBL13564881 1.00 LRRK2 (0.37) LRRK2NPY5RTRPV1GRIA2
SCHEMBL13564878 0.90 BRD4 (0.35) LRRK2NPY5RGRIA2
SCHEMBL17090228 0.90 BRD4 (0.35) LRRK2NPY5RGRIA2
SCHEMBL13564885 0.90 BRD4 (0.35) LRRK2NPY5RGRIA2
SCHEMBL13565047 0.88 LRRK2 (0.35) LRRK2TRPV1
SCHEMBL17090183 0.88 LRRK2 (0.35) LRRK2TRPV1
SCHEMBL17090227 0.87 LRRK2 (0.35) LRRK2TRPV1GRIA2
SCHEMBL13565905 0.86 NPY5R (0.37) NPY5R
SCHEMBL17090240 0.86 NPY5R (0.37) NPY5R
SCHEMBL17090229 0.85 NPY5R (0.43) NPY5RGRIA2

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