SCHEMBL6201280

SCHEMBL6201280

CN(C)S(=O)(=O)C(N)C1CCC(NC(N)=S)CC1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.31
DPP4 P27487 1/20 0.30
PREP P48147 1/20 0.30
DPP7 Q9UHL4 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PTPN7 P35236 1/20 0.30
DUSP3 P51452 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
SCHEMBL6201284 1.00 SMYD3 (0.31) SMYD3DPP4PREPDPP7KDM4E
SCHEMBL7474500 0.85 ALDH1A1 (0.34) KDM4EALDH1A1PTPN7DUSP3
SCHEMBL7470106 0.77 DPP4 (0.30) DPP4
SCHEMBL1473973 0.70
SCHEMBL5387497 0.69 NPY5R (0.42) ALDH1A1
SCHEMBL5387500 0.69 NPY5R (0.42) ALDH1A1
SCHEMBL5383055 0.65 GAA (0.40) DPP4DPP7ALDH1A1
SCHEMBL7474655 0.65 NPY5R (0.34) SMYD3ALDH1A1DUSP3
SCHEMBL5121347 0.65 NPY5R (0.34) SMYD3ALDH1A1DUSP3
SCHEMBL4235584 0.65 SMYD3 (0.40) SMYD3KDM4EALDH1A1PTPN7DUSP3

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
EP-1194421-B1 SELECTIVE NPY (Y5) ANTAGONISTS LUNDBECK & CO AS H (DK) 2005-10-12 EP disclosed
US-6225330-B1 Selective NPY (Y5) antagonists (tricyclics) SYNAPTIC PHARMACEUTICAL CORPORATION 2001-05-01 US disclosed