SCHEMBL17090539

SCHEMBL17090539

Cc1c(C)c(C(=O)NC(C)C)c(C)c(C)c1NC[C@H]1CC[C@H](NS(=O)(=O)C(C)C)CC1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.34
NPY5R Q15761 15/20 0.33
PTGER4 P35408 1/20 0.31
HCRTR2 O43614 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
SCHEMBL13439238 0.84 MAPK14 (0.39) MAPK14NPY5RPTGER4
SCHEMBL11935496 0.84 MAPK14 (0.39) MAPK14NPY5RPTGER4
SCHEMBL13439191 0.82 MAPK14 (0.43) MAPK14NPY5R
SCHEMBL11935456 0.82 MAPK14 (0.43) MAPK14NPY5R
SCHEMBL11935506 0.81 MAPK14 (0.37) MAPK14PTGER4
SCHEMBL13439239 0.81 MAPK14 (0.37) MAPK14PTGER4
SCHEMBL10114928 0.81 GRIA2 (0.33) NPY5R
SCHEMBL13204430 0.81 GRIA2 (0.33) NPY5R
SCHEMBL17090544 0.78 MAPK14 (0.37) MAPK14NPY5RPTGER4
SCHEMBL17090366 0.77 MAPK14 (0.45) MAPK14NPY5R

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