SCHEMBL23905394

SCHEMBL23905394

COc1cc(C(=O)NCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(C)C#N)C(F)(F)F)cc2cc(F)c(CO)nc12

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.32

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
SCHEMBL23905303 0.89 CFTR (0.33) CFTR
SCHEMBL23905858 0.89 CFTR (0.33) CFTR
SCHEMBL23905264 0.89 CFTR (0.32) CFTR
SCHEMBL23904748 0.89 CFTR (0.31) CFTR
SCHEMBL23905348 0.88 GABRA5 (0.32) CFTR
SCHEMBL23905522 0.88 CFTR (0.33) CFTR
SCHEMBL25113853 0.86 GABRA5 (0.34) CFTR
SCHEMBL23905742 0.85 CFTR (0.32) CFTR
SCHEMBL25113852 0.83 CFTR (0.32) CFTR
SCHEMBL23905917 0.82 GABRA5 (0.31)

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