SCHEMBL21589541

SCHEMBL21589541

CCCCC1(CCCC)CSc2cc(O/C=C/C(=O)OC)c(SC)cc2N(c2ccc(N)cc2)C1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.31

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
SCHEMBL21589531 0.92 NR1H4 (0.30) NR1H4
SCHEMBL21589537 0.92 NR1H4 (0.30) NR1H4
SCHEMBL21589536 0.90 MAPT (0.30)
SCHEMBL21589789 0.86
SCHEMBL21589718 0.85 NR1H4 (0.36) NR1H4
SCHEMBL21589839 0.84 NR1H4 (0.32) NR1H4
SCHEMBL21589538 0.84 NR1H4 (0.36) NR1H4
SCHEMBL28538461 0.84 NR1H4 (0.35) NR1H4
SCHEMBL29462749 0.84 NR1H4 (0.36) NR1H4
SCHEMBL21589812 0.82 NR1H4 (0.33) 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