SCHEMBL22307243

SCHEMBL22307243

Cc1c(C(=O)O)c2n(c1C(=O)C(=O)N[C@@H](C)C(F)(F)F)CCC2

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC10A1 Q14973 19/20 0.57
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL28634538 1.00 SLC10A1 (0.57) SLC10A1KDM4E
SCHEMBL19900903 0.91 SLC10A1 (0.62) SLC10A1
SCHEMBL19900906 0.91 SLC10A1 (0.62) SLC10A1
SCHEMBL28986713 0.90 SLC10A1 (0.56) SLC10A1
SCHEMBL28986711 0.90 SLC10A1 (0.56) SLC10A1
SCHEMBL23224036 0.87 SLC10A1 (0.54) SLC10A1KDM4E
SCHEMBL22307722 0.87 SLC10A1 (0.54) SLC10A1KDM4E
SCHEMBL22307697 0.87 SLC10A1 (0.54) SLC10A1KDM4E
SCHEMBL22307951 0.86 SLC10A1 (0.53) SLC10A1
SCHEMBL28638214 0.86 SLC10A1 (0.53) SLC10A1

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
CN-113365999-B Capsid protein assembly inhibitors containing pyrroloheterocycles 正大天晴药业集团股份有限公司 2023-04-14 CN disclosed
CN-113365999-A Capsid protein assembly inhibitors containing pyrroloheterocycles 正大天晴药业集团股份有限公司 2021-09-07 CN disclosed
WO-2020156494-A1 CAPSID PROTEIN ASSEMBLY INHIBITOR CONTAINING PYRROLO HETEROCYCLE 正大天晴药业集团股份有限公司 2020-08-06 WO disclosed