SCHEMBL23905529

SCHEMBL23905529

C[C@]1(C(N)=O)COc2c1cc(C(O)(CNC(=O)c1cc(OC3CC3)c3nnccc3c1)C(F)(F)F)nc2-c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.31

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
SCHEMBL23905588 0.93 CFTR (0.31) CFTR
SCHEMBL25116539 0.92 CFTR (0.33) CFTR
SCHEMBL25113841 0.92 CFTR (0.33) CFTR
SCHEMBL24984629 0.92 AR (0.33) CFTR
SCHEMBL23905260 0.92 AR (0.33) CFTR
SCHEMBL24984625 0.92 AR (0.33) CFTR
SCHEMBL24985905 0.91 CFTR (0.32) CFTR
SCHEMBL24984705 0.91 CFTR (0.31) CFTR
SCHEMBL24985906 0.91 CFTR (0.32) CFTR
SCHEMBL24984700 0.91 CFTR (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