SCHEMBL21589588

SCHEMBL21589588

CCCCC1(CCCC)CN(c2ccc(C(=O)NC(C)(C)C)cc2)c2cc(SC)c(O)cc2[S+]([O-])C1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
ACAT1 P24752 1/20 0.30

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
SCHEMBL21589579 0.97 LMNA (0.30) LMNAHTT
SCHEMBL21589480 0.89 NR1H4 (0.33) ACAT1
SCHEMBL21589585 0.89 RARB (0.32)
SCHEMBL21589672 0.86 PDK1 (0.30)
SCHEMBL21589484 0.85 RARB (0.31)
SCHEMBL21589780 0.85
SCHEMBL24940297 0.84
SCHEMBL21589587 0.83 NR1H4 (0.34) CNR1CNR2ACAT1
SCHEMBL22476233 0.83 NR1H4 (0.33) CNR1CNR2
SCHEMBL21589631 0.83 GRM2 (0.32)

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