SCHEMBL21433396

SCHEMBL21433396

CC(C)C1CN(c2ccc(C(N)=O)c(S(C)(=O)=O)c2)CCN1C(=O)O

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 19/20 0.77
NR1H3 Q13133 18/20 0.77

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
SCHEMBL21433393 1.00 NR1H2 (0.77) NR1H2NR1H3
SCHEMBL17519286 0.87 NR1H2 (1.00) NR1H2NR1H3
SCHEMBL17505005 0.87 NR1H2 (1.00) NR1H2NR1H3
SCHEMBL21433372 0.85 NR1H2 (0.76) NR1H2NR1H3
SCHEMBL21433369 0.85 NR1H2 (0.76) NR1H2NR1H3
SCHEMBL17505023 0.82 NR1H2 (0.62) NR1H2NR1H3
SCHEMBL21433335 0.82 NR1H2 (0.77) NR1H2NR1H3
SCHEMBL21433333 0.82 NR1H2 (0.77) NR1H2NR1H3
SCHEMBL19214302 0.78 NR1H2 (0.59) NR1H2NR1H3
SCHEMBL21433339 0.78 NR1H2 (0.74) NR1H2NR1H3

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-3177617-B1 PIPERAZINE DERIVATIVES AS LIVER X RECEPTOR MODULATORS VITAE PHARMACEUTICALS LLC (US) 2019-10-09 EP disclosed