SCHEMBL17090228

SCHEMBL17090228

Cc1cc(N2C[C@@H](C)O[C@@H](C)C2)ccc1NC[C@H]1CC[C@H](NS(=O)(=O)C(C)C)CC1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.35
LRRK2 Q5S007 2/20 0.35
NPY5R Q15761 4/20 0.34
GRIA2 P42262 2/20 0.32

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
SCHEMBL13564878 1.00 BRD4 (0.35) BRD4LRRK2NPY5RGRIA2
SCHEMBL13564885 1.00 BRD4 (0.35) BRD4LRRK2NPY5RGRIA2
SCHEMBL17090206 0.90 LRRK2 (0.37) LRRK2NPY5RGRIA2
SCHEMBL13564881 0.90 LRRK2 (0.37) LRRK2NPY5RGRIA2
SCHEMBL17090255 0.88 NPY5R (0.38) BRD4NPY5RGRIA2
SCHEMBL13564892 0.88 NPY5R (0.38) BRD4NPY5RGRIA2
SCHEMBL13565697 0.87 BRD4 (0.35) BRD4LRRK2
SCHEMBL17089990 0.87 BRD4 (0.35) BRD4LRRK2
SCHEMBL17090532 0.86 MAPT (0.42) LRRK2NPY5R
SCHEMBL13439109 0.86 MAPT (0.42) LRRK2NPY5R

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