SCHEMBL17090168

SCHEMBL17090168

CC(C)S(=O)(=O)N[C@H]1CC[C@H](CNc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
LRRK2 Q5S007 8/20 0.40
NPY5R Q15761 3/20 0.34
HTR2A P28223 2/20 0.33
DRD3 P35462 2/20 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
SCHEMBL13565976 1.00 MAPT (0.42) MAPTLRRK2NPY5RHTR2ADRD3
SCHEMBL13439109 1.00 MAPT (0.42) MAPTLRRK2NPY5RHTR2ADRD3
SCHEMBL17090532 1.00 MAPT (0.42) MAPTLRRK2NPY5RHTR2ADRD3
SCHEMBL11935390 1.00 MAPT (0.42) MAPTLRRK2NPY5RHTR2ADRD3
SCHEMBL13564839 1.00 MAPT (0.42) MAPTLRRK2NPY5RHTR2ADRD3
SCHEMBL13566023 0.91 MAPT (0.40) MAPTLRRK2HTR2ADRD3
SCHEMBL13565611 0.91 MAPT (0.40) MAPTLRRK2HTR2ADRD3
SCHEMBL13439173 0.90 MAPT (0.39) MAPTLRRK2HTR2ADRD3
SCHEMBL11941026 0.90 MAPT (0.39) MAPTLRRK2HTR2ADRD3
SCHEMBL11935439 0.90 MAPT (0.39) MAPTLRRK2HTR2ADRD3

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