SCHEMBL17090267

SCHEMBL17090267

C[C@@H]1CN(c2ccc(NCCCCCNS(=O)(=O)C(C)(C)C)cc2)C[C@@H](C)O1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
NPY5R Q15761 1/20 0.38
BRD4 O60885 6/20 0.37
LRRK2 Q5S007 6/20 0.35
CNR2 P34972 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL11934925 1.00 MAPT (0.44) MAPTNPY5RBRD4LRRK2CNR2
SCHEMBL11940986 1.00 MAPT (0.44) MAPTNPY5RBRD4LRRK2CNR2
SCHEMBL13565191 0.87 POLB (0.39) MAPTBRD4CNR2
SCHEMBL17090265 0.87 POLB (0.39) MAPTBRD4CNR2
SCHEMBL17090264 0.87 POLB (0.39) MAPTBRD4CNR2
SCHEMBL13566005 0.87 POLB (0.39) MAPTBRD4CNR2
SCHEMBL17090394 0.87 GHSR (0.39) NPY5RBRD4
SCHEMBL13565733 0.87 GHSR (0.39) NPY5RBRD4
SCHEMBL17090204 0.85 BRD4 (0.38) MAPTNPY5RBRD4
SCHEMBL11935550 0.85 BRD4 (0.41) MAPTNPY5RBRD4

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