SCHEMBL17089993

SCHEMBL17089993

C[C@@H]1CN(c2ccc(NC[C@H]3CC[C@H](NS(=O)(=O)C(C)(C)C)CC3)c(F)c2F)C[C@H](C)O1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.33
KDM4E B2RXH2 2/20 0.32
HTT P42858 1/20 0.32
LMNA P02545 1/20 0.32
NPY5R Q15761 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
SCN5A Q14524 1/20 0.31
DRD2 P14416 2/20 0.31
HTR2A P28223 2/20 0.31
DRD3 P35462 2/20 0.31
CNR2 P34972 3/20 0.31
CNR1 P21554 2/20 0.31
BRD4 O60885 1/20 0.30

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
SCHEMBL13565760 1.00 USP30 (0.33) USP30KDM4EHTTLMNANPY5R
SCHEMBL17090175 0.87 CNR1 (0.36) NPY5RDRD2HTR2ADRD3CNR2
SCHEMBL13565620 0.87 CNR1 (0.36) NPY5RDRD2HTR2ADRD3CNR2
SCHEMBL13565905 0.87 NPY5R (0.37) NPY5R
SCHEMBL17090240 0.87 NPY5R (0.37) NPY5R
SCHEMBL13565047 0.85 LRRK2 (0.35) TRPV1SCN5AHTR2ADRD3CNR2
SCHEMBL17090183 0.85 LRRK2 (0.35) TRPV1SCN5AHTR2ADRD3CNR2
SCHEMBL13565030 0.83 USP30 (0.39) USP30KDM4EHTTLMNACNR2
SCHEMBL10114332 0.82 NPY5R (0.47) USP30KDM4ELMNANPY5R
SCHEMBL10133409 0.82 NPY5R (0.47) USP30KDM4ELMNANPY5R

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