SCHEMBL17090280

SCHEMBL17090280

Cc1cc(NCCCCCNS(=O)(=O)C(C)C)cc2c1C(C)C(C)C2

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 3/20 0.42
NPY5R Q15761 8/20 0.37
HTR1A P08908 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
SCHEMBL13204598 0.84 ALDH1A1 (0.38) GRIA1HTR1A
SCHEMBL13565348 0.83 GRIA1 (0.43) GRIA1NPY5RHTR1A
SCHEMBL13565326 0.81 GRIA1 (0.43) GRIA1NPY5RHTR1A
SCHEMBL13565632 0.72 GRIA1 (0.41) GRIA1NPY5RHTR1A
SCHEMBL11935809 0.72 GRIA1 (0.46) GRIA1NPY5RHTR1A
SCHEMBL13565328 0.71 GRIA1 (0.59) GRIA1NPY5RHTR1A
SCHEMBL10115241 0.70 ALDH1A1 (0.38)
SCHEMBL11935306 0.69 NPY5R (0.54) GRIA1NPY5R
SCHEMBL13565345 0.69 CNR2 (0.34)
SCHEMBL13565796 0.69 GRIA1 (0.51) GRIA1NPY5R

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