SCHEMBL23905375

SCHEMBL23905375

CNC(=O)[C@@]1(C)COc2c1cc([C@@](O)(CNF)C(F)(F)F)nc2-c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.33
CYP2C9 P11712 1/20 0.31
IDO1 P14902 1/20 0.31
GRM2 Q14416 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
SCHEMBL23905533 0.90 CFTR (0.33) CFTRCYP2C9IDO1GRM2
SCHEMBL23905374 0.90 CFTR (0.33) CFTRCYP2C9IDO1GRM2
SCHEMBL23905836 0.88 GRM2 (0.35) CFTRCYP2C9IDO1GRM2
SCHEMBL23905373 0.88 GRM2 (0.35) CFTRCYP2C9IDO1GRM2
SCHEMBL24986093 0.82 CFTR (0.41) CFTRCYP2C9IDO1GRM2
SCHEMBL24984865 0.82 CFTR (0.38) CFTRCYP2C9IDO1GRM2
SCHEMBL23905616 0.80 DPP4 (0.36) CFTRCYP2C9
SCHEMBL23905407 0.80 CFTR (0.33) CFTRGRM2
SCHEMBL23905581 0.80 CFTR (0.33) CFTRGRM2
SCHEMBL23904871 0.80 CFTR (0.33) 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