SCHEMBL17090288

SCHEMBL17090288

Cc1c(C)c(C(=O)NC(C)C)c(C)c(C)c1NCCCCCNS(=O)(=O)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 3/20 0.49
NPY5R Q15761 7/20 0.40
EPHX1 P07099 1/20 0.33
HTR1A P08908 1/20 0.31
FABP4 P15090 1/20 0.31

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
SCHEMBL17090273 0.85 EPHX1 (0.32) GRIA1EPHX1
SCHEMBL10115464 0.84 GRIA1 (0.42) GRIA1NPY5RFABP4
SCHEMBL13439365 0.82 GRIA1 (0.43) GRIA1NPY5RHTR1AFABP4
SCHEMBL11935695 0.81 PAOX (0.37) EPHX1
SCHEMBL13564980 0.75 GRIA1 (0.43) GRIA1NPY5RHTR1A
SCHEMBL17090287 0.75 GRIA1 (0.43) GRIA1NPY5RHTR1AFABP4
SCHEMBL13565322 0.74 GRIA1 (0.49) GRIA1NPY5R
SCHEMBL17090215 0.73 GRIA1 (0.44) GRIA1NPY5RHTR1AFABP4
SCHEMBL17090450 0.72 GRIA1 (0.43) GRIA1NPY5R
SCHEMBL17090485 0.71 PPARA (0.41)

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