SCHEMBL21589718

SCHEMBL21589718

CCCCC1(CCCC)CSc2cc(O/C=C/C(=O)O)c(SC)cc2N(c2ccccc2)C1

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.36

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
SCHEMBL23483968 0.92 NR1H4 (0.32) NR1H4
SCHEMBL21589839 0.90 NR1H4 (0.32) NR1H4
SCHEMBL23484121 0.90 NR1H4 (0.31) NR1H4
SCHEMBL21589799 0.89 LTB4R2 (0.33)
SCHEMBL21589812 0.88 NR1H4 (0.33) NR1H4
SCHEMBL21589750 0.88 NR1H4 (0.31) NR1H4
SCHEMBL21589721 0.88 NR1H4 (0.30) NR1H4
SCHEMBL21589608 0.88 S1PR1 (0.33) NR1H4
SCHEMBL24940621 0.87 RAB9A (0.39) NR1H4
SCHEMBL21589691 0.87 NR1H4 (0.35) NR1H4

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