SCHEMBL21586053

SCHEMBL21586053

CCCCC1(CCCC)CN(c2ccc(NC(=O)C3CC3)cc2)c2cc(SC)c(OC=C(F)C(=O)O)cc2S(O)(O)C1

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
SCHEMBL22476199 1.00 NR1H4 (0.34) NR1H4
SCHEMBL21585989 0.97 NR1H4 (0.33) NR1H4
SCHEMBL22476218 0.97 NR1H4 (0.33) NR1H4
SCHEMBL21586050 0.94 NR1H4 (0.35) NR1H4
SCHEMBL21586052 0.94 NR1H4 (0.35) NR1H4
SCHEMBL22476225 0.92 NR1H4 (0.36) NR1H4
SCHEMBL21585941 0.92 NR1H4 (0.36) NR1H4
SCHEMBL21585987 0.91 NR1H4 (0.34) NR1H4
SCHEMBL21585988 0.91 NR1H4 (0.34) NR1H4
SCHEMBL21586034 0.90 NR1H4 (0.38) 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-A1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS Albireo AB (SE) 2021-04-14 EP disclosed
WO-2019234077-A1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2019-12-12 WO disclosed