SCHEMBL7999366

SCHEMBL7999366

CCCN(C(=O)OC(C)(C)C)[C@@H]1CNC1C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 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
SCHEMBL34474774 0.75 SLC6A4 (0.48)
SCHEMBL12347236 0.75 SLC6A4 (0.48)
SCHEMBL12750824 0.73 CA12 (0.36) CA12CA1CA7CA14NFKB1
SCHEMBL6118690 0.72 SLC6A4 (0.45) CA12CA1CA7CA14
SCHEMBL13494079 0.71 ADH1A (0.41) CA12CA1CA7CA14NFKB1
SCHEMBL31210842 0.70 SLC6A4 (0.36) NFKB1NFKB2RELA
SCHEMBL13331026 0.69 ASGR1 (0.32)
SCHEMBL31210582 0.68 NFKB1 (0.33) CA14NFKB1NFKB2RELA
SCHEMBL4517733 0.68 NFKB1 (0.32) CA14NFKB1NFKB2RELA
SCHEMBL14157391 0.68 SLC6A2 (0.32) NFKB1NFKB2RELA

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
WO-2009146182-A1 TRPV4 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2009-12-03 WO disclosed