SCHEMBL21589691

SCHEMBL21589691

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

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.35

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
SCHEMBL23484364 0.94 NR1H4 (0.31) NR1H4
SCHEMBL21589707 0.93 NR1H4 (0.35) NR1H4
SCHEMBL21589775 0.93 NR1H4 (0.31) NR1H4
SCHEMBL23484103 0.92 NR1H4 (0.32) NR1H4
SCHEMBL24940620 0.91 NR1H4 (0.31) NR1H4
SCHEMBL23484120 0.91 NR1H4 (0.30) NR1H4
SCHEMBL21589572 0.90 NR1H4 (0.35) NR1H4
SCHEMBL21589676 0.88
SCHEMBL21589735 0.88 RAB9A (0.30)
SCHEMBL24940633 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