SCHEMBL21589568

SCHEMBL21589568

CCCCC1(CC)CN(c2ccccc2)c2cc(Br)c(O/C=C/C(=O)O)cc2[S+]([O-])C1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ELANE P08246 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
SCHEMBL21589516 0.94
SCHEMBL24940634 0.93
SCHEMBL21589496 0.92 NPC1 (0.32)
SCHEMBL21589671 0.91
SCHEMBL21589816 0.91 ELANE (0.30) ELANE
SCHEMBL21589534 0.91 CA2 (0.32)
SCHEMBL21589767 0.90 ELANE (0.30) ELANE
SCHEMBL21589584 0.90 ALDH1A1 (0.33) ELANE
SCHEMBL21589696 0.89 NR1H4 (0.35)
SCHEMBL21589800 0.89 NR1H4 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3921027-B1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2023-07-19 EP disclosed
EP-3802504-B1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2023-01-18 EP disclosed
WO-2020161216-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2020-08-13 WO disclosed
WO-2019234077-A1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2019-12-12 WO disclosed