SCHEMBL17090191

SCHEMBL17090191

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

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 8/20 0.35
GRIA2 P42262 12/20 0.35
CYP3A4 P08684 1/20 0.33
CYP2C8 P10632 1/20 0.33

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
SCHEMBL13565271 1.00 NPY5R (0.35) NPY5RGRIA2CYP3A4CYP2C8
SCHEMBL17090179 0.85 GRIA2 (0.36) NPY5RGRIA2
SCHEMBL14424634 0.80 GRIA2 (0.39) GRIA2
SCHEMBL10114891 0.80 GRIA2 (0.39) GRIA2
SCHEMBL11935455 0.79 BTK (0.31)
SCHEMBL13439197 0.79 BTK (0.31)
SCHEMBL17090434 0.77 GRIA4 (0.46) NPY5RGRIA2
SCHEMBL13565462 0.77 GRIA4 (0.46) NPY5RGRIA2
SCHEMBL11935136 0.76 NPY5R (0.41) NPY5RGRIA2CYP3A4CYP2C8
SCHEMBL11936151 0.76 NPY5R (0.41) NPY5RGRIA2CYP3A4CYP2C8

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