SCHEMBL23484121

SCHEMBL23484121

CCCCC1(CC)CSc2cc(O/C=C/C(=O)O)c(SC)cc2N(c2ccc(F)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
SCHEMBL21589750 0.91 NR1H4 (0.31) NR1H4
SCHEMBL23483942 0.90
SCHEMBL21589718 0.90 NR1H4 (0.36) NR1H4
SCHEMBL23484120 0.88 NR1H4 (0.30) NR1H4
SCHEMBL23483968 0.88 NR1H4 (0.32) NR1H4
SCHEMBL21589612 0.88 S1PR1 (0.33)
SCHEMBL21589765 0.88
SCHEMBL21589839 0.87 NR1H4 (0.32) NR1H4
SCHEMBL23481430 0.86 NR1H4 (0.36) NR1H4
SCHEMBL21589722 0.85 USP2 (0.30)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021110886-A1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2021-06-10 WO disclosed