SCHEMBL17090545

SCHEMBL17090545

C[C@@H]1CN(c2c(F)c(F)c(NCCCCCNS(=O)(=O)C(C)(C)C)c(F)c2F)C[C@H](C)O1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
EPHX1 P07099 1/20 0.30

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
SCHEMBL13565896 1.00 NPY5R (0.33) NPY5RCA12CA1CA2CA7
SCHEMBL17090456 0.84 GRIA1 (0.42) NPY5RCA12CA1CA2CA7
SCHEMBL13565224 0.84 GRIA1 (0.42) NPY5RCA12CA1CA2CA7
SCHEMBL12881994 0.84 HDAC6 (0.37)
SCHEMBL10115013 0.84 HDAC6 (0.37)
SCHEMBL17090269 0.83 NPY5R (0.36) NPY5R
SCHEMBL13565146 0.83 NPY5R (0.36) NPY5R
SCHEMBL13565151 0.81 NPY5R (0.36) NPY5R
SCHEMBL11935562 0.80 KDM4E (0.35) CA12CA1CA2CA7CA13
SCHEMBL11940091 0.80 KDM4E (0.35) CA12CA1CA2CA7CA13

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