SCHEMBL7704449

SCHEMBL7704449

COc1ccc2c(c1)CCC(COC(=O)CN)C2c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.65
PPARD Q03181 2/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
MTNR1B P49286 3/20 0.42
MTNR1A P48039 2/20 0.42
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
GRIN2B Q13224 4/20 0.41
GRIN1 Q05586 1/20 0.41
TAS2R14 Q9NYV8 1/20 0.41

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
SCHEMBL7703390 0.84 MTNR1A (0.54) SLC6A9MTNR1BMTNR1A
Org-25935 SCHEMBL27034881 0.79 SLC6A9 (1.00) SLC6A9PPARDCA1CA2CA9
Org-25935 SCHEMBL1761267 0.79 SLC6A9 (1.00) SLC6A9PPARDCA1CA2CA9
Org-25935 SCHEMBL7703430 0.79 SLC6A9 (1.00) SLC6A9PPARDCA1CA2CA9
Hydrochloric Acid SCHEMBL7703435 0.79 SLC6A9 (0.67) SLC6A9PPARDCA1CA2CA9
Hydrochloric Acid SCHEMBL7711882 0.79 SLC6A9 (0.67) SLC6A9PPARDCA1CA2CA9
SCHEMBL7700569 0.78 SLC6A9 (0.81) SLC6A9PPARDCA1CA2CA9
SCHEMBL7706108 0.78 SLC6A9 (0.69) SLC6A9PPARDCA1CA2CA9
SCHEMBL31757157 0.78 SLC6A9 (0.69) SLC6A9PPARDCA1CA2CA9
Org-25935 SCHEMBL7703262 0.78 SLC6A9 (0.98) SLC6A9PPARDCA1CA2CA9

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
EP-1100769-B1 AMINOMETHYLCARBOXYLIC ACID DERIVATIVES AKZO NOBEL NV (NL) 2002-12-04 EP disclosed