SCHEMBL17090183

SCHEMBL17090183

C[C@@H]1CN(c2ccc(NC[C@H]3CC[C@H](NS(=O)(=O)C(C)(C)C)CC3)c(F)c2)C[C@H](C)O1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 6/20 0.35
HTR2A P28223 2/20 0.34
DRD3 P35462 2/20 0.34
TRPV1 Q8NER1 1/20 0.34
CNR2 P34972 3/20 0.34
CNR1 P21554 2/20 0.34
SCN5A Q14524 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
SCHEMBL13565047 1.00 LRRK2 (0.35) LRRK2HTR2ADRD3TRPV1CNR2
SCHEMBL13565697 0.90 BRD4 (0.35) LRRK2HTR2ADRD3
SCHEMBL17089990 0.90 BRD4 (0.35) LRRK2HTR2ADRD3
SCHEMBL13564881 0.88 LRRK2 (0.37) LRRK2TRPV1
SCHEMBL17090206 0.88 LRRK2 (0.37) LRRK2TRPV1
SCHEMBL13565760 0.85 USP30 (0.33) HTR2ADRD3TRPV1CNR2CNR1
SCHEMBL17089993 0.85 USP30 (0.33) HTR2ADRD3TRPV1CNR2CNR1
SCHEMBL13565620 0.85 CNR1 (0.36) HTR2ADRD3CNR2CNR1
SCHEMBL17090175 0.85 CNR1 (0.36) HTR2ADRD3CNR2CNR1
SCHEMBL13565140 0.84 MAPT (0.43) LRRK2HTR2ADRD3CNR2

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