SCHEMBL23905344

SCHEMBL23905344

Cc1cc2cc(C(=O)NCC(O)(c3cc4c(c(-c5ccc(F)cc5)n3)OCC4(C)C)C(F)F)cc(OC3CC3)c2nn1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.31
PTGS2 P35354 3/20 0.31
ALOX5 P09917 1/20 0.31
SCN9A Q15858 1/20 0.30
SLC5A7 Q9GZV3 1/20 0.30
GABRA5 P31644 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
SCHEMBL23905685 0.93
SCHEMBL23905331 0.92
SCHEMBL23905300 0.91 CYP2C9 (0.31) GABRA5
SCHEMBL23905690 0.85 PTGS1 (0.33) PTGS1PTGS2ALOX5
SCHEMBL23905571 0.85 PTGS1 (0.33) PTGS1PTGS2ALOX5
SCHEMBL23905825 0.85 CFTR (0.31) GABRA5
SCHEMBL23905299 0.85 CFTR (0.31) GABRA5
SCHEMBL23905830 0.85 CFTR (0.31) GABRA5
SCHEMBL25687473 0.85 CFTR (0.34) SCN9ASLC5A7
SCHEMBL23905772 0.85 GABRA5 (0.30) GABRA5

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
WO-2021198981-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF Janssen Biopharma, Inc. (US) 2021-10-07 WO disclosed