SCHEMBL23905787

SCHEMBL23905787

CC(C)(O)[C@@]1(C)COc2c1cc([C@@](O)(CN)C(F)(F)F)nc2-c1ccc(F)cc1

nearest known ligand 0.32

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
SCHEMBL18031466 0.94 CFTR (0.32) CFTR
SCHEMBL23904890 0.90 PTGS2 (0.33) CFTR
SCHEMBL23904863 0.88 CFTR (0.32) CFTR
SCHEMBL23905494 0.88 CFTR (0.32) CFTR
SCHEMBL23905398 0.88 CFTR (0.32) CFTR
SCHEMBL23904787 0.88 CYP2C9 (0.32) CFTR
SCHEMBL23904751 0.85 CFTR (0.30) CFTR
SCHEMBL23905407 0.85 CFTR (0.33) CFTR
SCHEMBL23883057 0.85 ADORA2A (0.31) CFTR
SCHEMBL23905700 0.85 ADORA2A (0.31) CFTR

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