SCHEMBL17090179

SCHEMBL17090179

Cc1cc(NC[C@H]2CC[C@H](NS(=O)(=O)C(C)C)CC2)cc2c1C(C)C(C)C2

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 18/20 0.36
NPY5R Q15761 2/20 0.33
CYP1A2 P05177 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
SCHEMBL17090191 0.85 NPY5R (0.35) GRIA2NPY5R
SCHEMBL13565271 0.85 NPY5R (0.35) GRIA2NPY5R
SCHEMBL13565124 0.82 GRIA2 (0.39) GRIA2CYP1A2
SCHEMBL12881992 0.80 GRIA2 (0.40) GRIA2CYP1A2
SCHEMBL17090280 0.75 GRIA1 (0.42) NPY5R
SCHEMBL17090434 0.75 GRIA4 (0.46) GRIA2NPY5R
SCHEMBL13565462 0.75 GRIA4 (0.46) GRIA2NPY5R
SCHEMBL13566008 0.74 NPY5R (0.33) GRIA2NPY5R
SCHEMBL17090379 0.74 NPY5R (0.33) GRIA2NPY5R
SCHEMBL13565168 0.74 GRIA2 (0.44) GRIA2CYP1A2

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