SCHEMBL21589870

SCHEMBL21589870

CCCCC1(CC)CN(c2ccccc2)c2cc(SC)c(O/C=C(\F)C(=O)O)cc2SN1C

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 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
SCHEMBL21589724 1.00 NR1H4 (0.34) NR1H4
SCHEMBL24940633 0.97 NR1H4 (0.35) NR1H4
SCHEMBL24940644 0.93 NR1H4 (0.33) NR1H4
SCHEMBL24940647 0.89
SCHEMBL24940626 0.88 NR1H4 (0.35) NR1H4
SCHEMBL21589691 0.86 NR1H4 (0.35) NR1H4
SCHEMBL21589712 0.85 NR1H4 (0.40) NR1H4
SCHEMBL21585965 0.85 NR1H4 (0.40) NR1H4
SCHEMBL21585966 0.85 NR1H4 (0.40) NR1H4
SCHEMBL21589711 0.85 NR1H4 (0.40) 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