SCHEMBL17090264

SCHEMBL17090264

C[C@@H]1C[C@@H](C)CN(c2ccc(NCCCCCNS(=O)(=O)C(C)(C)C)cc2)C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
CNR2 P34972 5/20 0.37
KDM4E B2RXH2 1/20 0.33
PGAM1 P18669 1/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALPG P10696 1/20 0.32
KMT2A Q03164 2/20 0.32
EPHX1 P07099 1/20 0.31
JAK2 O60674 2/20 0.31
BRD4 O60885 1/20 0.31
JAK3 P52333 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL13566005 1.00 POLB (0.39) POLBCNR2KDM4EPGAM1MAPT
SCHEMBL13565191 1.00 POLB (0.39) POLBCNR2KDM4EPGAM1MAPT
SCHEMBL17090265 1.00 POLB (0.39) POLBCNR2KDM4EPGAM1MAPT
SCHEMBL11940986 0.87 MAPT (0.44) CNR2MAPTBRD4
SCHEMBL11934925 0.87 MAPT (0.44) CNR2MAPTBRD4
SCHEMBL17090267 0.87 MAPT (0.44) CNR2MAPTBRD4
SCHEMBL13564924 0.84 CNR2 (0.35) POLBCNR2KDM4EMAPTALDH1A1
SCHEMBL13565311 0.84 GRIA1 (0.44) POLBCNR2PGAM1MAPTALDH1A1
SCHEMBL17090210 0.84 GRIA1 (0.44) POLBCNR2PGAM1MAPTALDH1A1
SCHEMBL17090209 0.84 GRIA1 (0.44) POLBCNR2PGAM1MAPTALDH1A1

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