SCHEMBL30728381

SCHEMBL30728381

CCCCC1(CC)CN(c2ccc(F)cc2)c2cc(OC)c(C(=O)OC)cc2S(=O)(=O)C1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC10A2 Q12908 17/20 0.39
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR4 Q13639 1/20 0.35

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
SCHEMBL26986292 1.00 SLC10A2 (0.39) SLC10A2ALDH1A1HPGDSMN1; SMN2HTR4
SCHEMBL30728336 0.97 SLC10A2 (0.40) SLC10A2ALDH1A1HPGDSMN1; SMN2HTR4
SCHEMBL26986316 0.97 SLC10A2 (0.40) SLC10A2ALDH1A1HPGDSMN1; SMN2HTR4
SCHEMBL30728206 0.91 SLC10A2 (0.45) SLC10A2
SCHEMBL26986309 0.91 SLC10A2 (0.45) SLC10A2
SCHEMBL30728363 0.88 SLC10A2 (0.38) SLC10A2ALDH1A1HPGD
SCHEMBL26986406 0.88 SLC10A2 (0.38) SLC10A2ALDH1A1HPGD
SCHEMBL30728327 0.88 SLC10A2 (0.44) SLC10A2
SCHEMBL30728307 0.88 SLC10A2 (0.41) SLC10A2
SCHEMBL26985891 0.88 SLC10A2 (0.41) SLC10A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4551562-A1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS Albireo AB (SE) 2025-05-14 EP disclosed
CN-119487013-A Benzothiepine (di) nitrogen cycloheptatriene compounds Compounds and their use as bile acid modulators 阿尔比里奥公司 2025-02-18 CN disclosed
WO-2024008766-A1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2024-01-11 WO disclosed