SCHEMBL13565151

SCHEMBL13565151

Cc1cc(NCCCCCNS(=O)(=O)C(C)(C)C)cc(C)c1N1C[C@@H](C)O[C@@H](C)C1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.36
BRD4 O60885 4/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CNR2 P34972 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
KDM4E B2RXH2 2/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
LMNA P02545 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
SCHEMBL17090269 0.89 NPY5R (0.36) NPY5RBRD4CNR2HDAC6KDM4E
SCHEMBL13565146 0.89 NPY5R (0.36) NPY5RBRD4CNR2HDAC6KDM4E
SCHEMBL11935544 0.86 KDM4E (0.38) NPY5RBRD4L3MBTL1CNR2ALDH1A1
SCHEMBL13565632 0.85 GRIA1 (0.41) NPY5RBRD4ALDH1A1TSHR
SCHEMBL10115048 0.85 GAA (0.41) HDAC6ALDH1A1TSHRMEN1KMT2A
SCHEMBL11935626 0.83 BRD4 (0.36) NPY5RBRD4L3MBTL1HDAC6ALDH1A1
SCHEMBL11941031 0.83 BRD4 (0.36) NPY5RBRD4L3MBTL1HDAC6ALDH1A1
SCHEMBL11940986 0.82 MAPT (0.44) NPY5RBRD4CNR2MAPT
SCHEMBL17090267 0.82 MAPT (0.44) NPY5RBRD4CNR2MAPT
SCHEMBL11934925 0.82 MAPT (0.44) NPY5RBRD4CNR2MAPT

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 2 patents. 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
US-8299265-B2 Amine derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-10-30 US disclosed