SCHEMBL17090187

SCHEMBL17090187

Cc1c(NC[C@H]2CC[C@H](NS(=O)(=O)C(C)C)CC2)ccc(-c2cnco2)c1C

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 6/20 0.35
AAK1 Q2M2I8 7/20 0.35
KDM4C Q9H3R0 1/20 0.33
CYP1A2 P05177 1/20 0.32
F11 P03951 1/20 0.32
PRKCQ Q04759 1/20 0.32
PRKCD Q05655 1/20 0.32
BRD4 O60885 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
SCHEMBL17090540 0.84 GRIA2 (0.33) GRIA2BRD4
SCHEMBL13565137 0.84 GRIA2 (0.33) GRIA2BRD4
SCHEMBL12882332 0.82 ADORA2B (0.43) GRIA2AAK1CYP1A2
SCHEMBL13565171 0.80 AAK1 (0.41) GRIA2AAK1CYP1A2
SCHEMBL17090257 0.74 LIPC (0.40) GRIA2BRD4
SCHEMBL13564891 0.74 LIPC (0.40) GRIA2BRD4
SCHEMBL13565174 0.74 PTGER4 (0.36) GRIA2BRD4
SCHEMBL17090197 0.74 PTGER4 (0.36) GRIA2BRD4
SCHEMBL13439494 0.73 AAK1 (0.38) AAK1
SCHEMBL17090158 0.73 NPY5R (0.35) BRD4

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