SCHEMBL28527722

SCHEMBL28527722

CCCCC1(CC)CN(c2ccc(N)cc2)c2cc(SC)c(OC=CC(=O)O)cc2S(=O)(=O)C1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.36
SLC10A2 Q12908 2/20 0.34

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
SCHEMBL22476267 1.00 NR1H4 (0.36) NR1H4SLC10A2
SCHEMBL21586065 0.97 NR1H4 (0.37) NR1H4SLC10A2
SCHEMBL28529182 0.97 NR1H4 (0.37) NR1H4SLC10A2
SCHEMBL21589641 0.94 NR1H4 (0.41) NR1H4SLC10A2
SCHEMBL21586024 0.94 NR1H4 (0.41) NR1H4SLC10A2
SCHEMBL21589798 0.94 NR1H4 (0.41) NR1H4SLC10A2
SCHEMBL21589645 0.94 NR1H4 (0.41) NR1H4SLC10A2
SCHEMBL30912722 0.94 NR1H4 (0.41) NR1H4SLC10A2
SCHEMBL21586021 0.94 NR1H4 (0.41) NR1H4SLC10A2
SCHEMBL21589586 0.94 NR1H4 (0.41) 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
CN-112449637-A Benzothia (di) azepanes and their use as bile acid modulators 阿尔比里奥公司 2021-03-05 CN disclosed