SCHEMBL13565733

SCHEMBL13565733

CC1CN(c2cccc(NCCCCCNS(=O)(=O)C(C)(C)C)c2)CC(C)O1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 3/20 0.39
NPY5R Q15761 1/20 0.37
HTR1A P08908 11/20 0.37
KCNH2 Q12809 3/20 0.37
BRD4 O60885 2/20 0.37
HTR7 P34969 2/20 0.35
SIGMAR1 Q99720 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
HTR6 P50406 1/20 0.35
USP2 O75604 1/20 0.34
GAA P10253 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
SCHEMBL17090394 1.00 GHSR (0.39) GHSRNPY5RHTR1AKCNH2BRD4
SCHEMBL17090267 0.87 MAPT (0.44) NPY5RBRD4
SCHEMBL11940986 0.87 MAPT (0.44) NPY5RBRD4
SCHEMBL11934925 0.87 MAPT (0.44) NPY5RBRD4
SCHEMBL11935720 0.85 HTR1A (0.51) GHSRNPY5RHTR1AKCNH2BRD4
SCHEMBL11940090 0.85 HTR1A (0.51) GHSRNPY5RHTR1AKCNH2BRD4
SCHEMBL10134444 0.85 GAA (0.48) HTR1AKCNH2HTR7SIGMAR1USP2
SCHEMBL10114977 0.85 GAA (0.48) HTR1AKCNH2HTR7SIGMAR1USP2
SCHEMBL13565248 0.84 SMN1; SMN2 (0.44) NPY5RUSP2GAA
SCHEMBL17090270 0.84 SMN1; SMN2 (0.44) NPY5RUSP2GAA

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