SCHEMBL30187404

SCHEMBL30187404

CCCCC1(CC)CN(c2ccccc2)c2cc(SC)c(OC=C(F)C(=O)O)cc2S(=O)(=O)C1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.40
SLC10A2 Q12908 19/20 0.33

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
SCHEMBL21589853 1.00 NR1H4 (0.40) NR1H4SLC10A2
SCHEMBL21589855 1.00 NR1H4 (0.40) NR1H4SLC10A2
SCHEMBL21589634 1.00 NR1H4 (0.40) NR1H4SLC10A2
SCHEMBL30912742 1.00 NR1H4 (0.40) NR1H4SLC10A2
SCHEMBL30912719 1.00 NR1H4 (0.40) NR1H4SLC10A2
SCHEMBL29462839 1.00 NR1H4 (0.40) NR1H4SLC10A2
SCHEMBL21589687 0.97 NR1H4 (0.41) NR1H4SLC10A2
SCHEMBL30611632 0.97 NR1H4 (0.41) NR1H4SLC10A2
SCHEMBL21586017 0.97 NR1H4 (0.41) NR1H4SLC10A2
SCHEMBL23451459 0.95 NR1H4 (0.37) NR1H4SLC10A2

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-3802504-B1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2023-01-18 EP claimed