SCHEMBL21589563

SCHEMBL21589563

CCCCC1(CC)CN(c2ccccc2)c2cc(SC)c(O/C=C(\F)C(=O)OCC)cc2[S+]([O-])N1C

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 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
SCHEMBL21589567 0.97 NR1H4 (0.33) NR1H4
SCHEMBL21589566 0.90
SCHEMBL21589783 0.90 NR1H4 (0.34) NR1H4
SCHEMBL21589820 0.85 NR1H4 (0.34) NR1H4
SCHEMBL24940644 0.84 NR1H4 (0.33) NR1H4
SCHEMBL21589560 0.84 NR1H4 (0.39) NR1H4
SCHEMBL29462850 0.84 NR1H4 (0.39) NR1H4
SCHEMBL21589561 0.83 NR1H4 (0.40) NR1H4
SCHEMBL29462822 0.83 NR1H4 (0.40) NR1H4
SCHEMBL21589868 0.82

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-2019234077-A1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2019-12-12 WO disclosed