SCHEMBL5564465

SCHEMBL5564465

Cc1ccccc1C(=O)c1cnc(NCCCCNS(=O)(=O)c2cccs2)s1

nearest known ligand 0.96

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.51
TSHR P16473 1/20 0.46
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ADORA2A P29274 1/20 0.42

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
SCHEMBL5568018 0.98 NPY5R (0.48) NPY5RTSHRMEN1HTTKMT2A
SCHEMBL5564647 0.87 MAPK13 (0.50) NPY5RTSHR
SCHEMBL5568908 0.86 F13A1 (0.51) CYP2C9CYP2C19
SCHEMBL5564554 0.85 F13A1 (0.52) NPY5R
SCHEMBL5568715 0.85 ALDH1A1 (0.47)
SCHEMBL27614917 0.85 F2 (0.37)
SCHEMBL5564038 0.84 MAPT (0.43) TSHRMEN1HTTKMT2A
SCHEMBL5564570 0.84 ALDH1A1 (0.43) CYP2C9CYP2C19
SCHEMBL5564738 0.84 F13A1 (0.48) CYP2C9CYP2C19
SCHEMBL5565210 0.84 KMT2A (0.45) TSHRMEN1HTTKMT2A

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
EP-1480976-B1 THIAZOLE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2007-09-19 EP claimed