SCHEMBL3878481

SCHEMBL3878481

COc1cccc(-c2ccc3c(c2)CN(C(=O)c2cc(S(C)(=O)=O)ccc2OC(C)C(F)(F)F)C3)c1.C[C@H](Oc1ccc(S(C)(=O)=O)cc1C(=O)N1Cc2ccc(I)cc2C1)C(F)(F)F

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 20/20 0.76
SLC6A5 Q9Y345 3/20 0.75

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
SCHEMBL1460914 0.95 SLC6A9 (0.84) SLC6A9SLC6A5
SCHEMBL9882777 0.95 SLC6A9 (0.84) SLC6A9SLC6A5
SCHEMBL3872036 0.93 SLC6A9 (0.80) SLC6A9SLC6A5
SCHEMBL3870803 0.91 SLC6A9 (0.78) SLC6A9SLC6A5
SCHEMBL3871638 0.90 SLC6A9 (0.77) SLC6A9SLC6A5
SCHEMBL3875544 0.89 SLC6A9 (0.80) SLC6A9SLC6A5
SCHEMBL3878402 0.88 SLC6A9 (0.79) SLC6A9SLC6A5
SCHEMBL3881827 0.88 SLC6A9 (0.79) SLC6A9SLC6A5
SCHEMBL4124541 0.88 SLC6A9 (0.88) SLC6A9SLC6A5
SCHEMBL9882760 0.88 SLC6A9 (0.88) SLC6A9SLC6A5

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-1848694-B1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 HOFFMANN LA ROCHE (CH) 2009-11-25 EP disclosed