SCHEMBL23905748

SCHEMBL23905748

COc1ncc2cc(C(=O)NCC(O)(c3cc4c(c(-c5ccc(F)cc5)n3)OC[C@@]4(C)CF)C(F)(F)F)cc(OC)c2n1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 8/20 0.34
CFTR P13569 3/20 0.33
ALOX5 P09917 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 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
SCHEMBL23905753 1.00 GABRA5 (0.34) GABRA5CFTRALOX5PTGS1PTGS2
SCHEMBL23905751 1.00 GABRA5 (0.34) GABRA5CFTRALOX5PTGS1PTGS2
SCHEMBL23905754 0.92 CFTR (0.32) GABRA5CFTR
SCHEMBL23905752 0.92 CFTR (0.32) GABRA5CFTR
SCHEMBL23905560 0.92 CFTR (0.33) GABRA5CFTR
SCHEMBL23905541 0.92 CFTR (0.33) GABRA5CFTR
SCHEMBL23905249 0.92 CFTR (0.33) GABRA5CFTR
SCHEMBL25116231 0.90 GABRA5 (0.34) GABRA5CFTR
SCHEMBL25116404 0.90 GABRA5 (0.34) GABRA5CFTR
SCHEMBL23905868 0.90 GABRA5 (0.34) GABRA5CFTR

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