SCHEMBL21869307

SCHEMBL21869307

C[C@H](NS(=O)(=O)c1c(Cl)c(C(=O)Nc2ccc(F)c(C#N)c2)n2c1CCCCC2)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC10A1 Q14973 19/20 0.49
PTGS1 P23219 1/20 0.38
PTGS2 P35354 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
SCHEMBL22646484 1.00 SLC10A1 (0.49) SLC10A1PTGS1PTGS2
SCHEMBL22646453 1.00 SLC10A1 (0.49) SLC10A1PTGS1PTGS2
SCHEMBL22646298 0.99 SLC10A1 (0.50) SLC10A1PTGS1PTGS2
SCHEMBL21869517 0.97 SLC10A1 (0.51) SLC10A1PTGS1PTGS2
SCHEMBL22646286 0.97 SLC10A1 (0.51) SLC10A1PTGS1PTGS2
SCHEMBL22646306 0.92 SLC10A1 (0.52) SLC10A1
SCHEMBL22646456 0.91 SLC10A1 (0.53) SLC10A1
SCHEMBL21869200 0.90 SLC10A1 (0.53) SLC10A1
SCHEMBL22646304 0.90 SLC10A1 (0.53) SLC10A1
SCHEMBL21869142 0.90 SLC10A1 (0.54) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3628674-A1 BICYCLIC NUCLEOCAPSID INHIBITOR AND USE OF SAME AS DRUG IN TREATMENT OF HEPATITIS B Shanghai Longwood Biopharmaceuticals Co., Ltd. (CN) 2020-04-01 EP disclosed