SCHEMBL13565631

SCHEMBL13565631

CC(C)(C)S(=O)(=O)NCCCCCNCCSc1cc(C(F)(F)F)nc2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.67
TLR7 Q9NYK1 1/20 0.38
KMT2A Q03164 1/20 0.35
DRD2 P14416 2/20 0.35
DRD3 P35462 2/20 0.35
SLC2A1 P11166 5/20 0.33
KCNH2 Q12809 1/20 0.33
CNR2 P34972 1/20 0.33
NPY5R Q15761 3/20 0.33
AGTR1 P30556 1/20 0.33
AGTR2 P50052 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
IGF1R P08069 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL13565506 0.88 MAPT (0.66) MAPTTLR7KMT2ASLC2A1KCNH2
SCHEMBL10113543 0.86 MAPT (0.61) MAPTTLR7DRD2DRD3GAA
SCHEMBL11934977 0.83 MAPT (0.60) MAPTTLR7KMT2AADORA2AADORA1
SCHEMBL13564759 0.78 MAPT (0.58) MAPTTLR7KMT2ADRD2DRD3
SCHEMBL17090301 0.78 MAPT (0.58) MAPTTLR7KMT2ADRD2DRD3
SCHEMBL10133723 0.78 MAPT (0.68) MAPTTLR7KMT2ADRD2DRD3
SCHEMBL13940133 0.77 MAPT (0.72) MAPTTLR7KMT2AADORA2AADORA1
SCHEMBL10113816 0.75 MAPT (0.60) MAPTTLR7DRD2DRD3ADORA2A
SCHEMBL13203787 0.74 MAPT (0.57) MAPTDRD2DRD3NPY5R
SCHEMBL10133713 0.74 MAPT (0.57) MAPTDRD2DRD3NPY5R

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