SCHEMBL23958769

SCHEMBL23958769

CC(C)C(CN)c1cc(C(C)(C)O)c(P)c(-c2ccc(F)cc2)n1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.39
SCN9A Q15858 2/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.30
CNR2 P34972 1/20 0.30
TNIK Q9UKE5 1/20 0.30
PIK3CA P42336 1/20 0.30
FPR2 P25090 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
SCHEMBL25689076 0.89
SCHEMBL23958855 0.88 CFTR (0.38) CFTRSCN9ACNR2TNIKFPR2
SCHEMBL28909215 0.79 CFTR (0.38) CFTRSCN9ACNR2TNIKFPR2
SCHEMBL23958642 0.74 CFTR (0.38) CFTRCNR2TNIK
SCHEMBL26926330 0.74 CFTR (0.39) CFTRSCN9ACNR2
SCHEMBL23958714 0.72 CFTR (0.40) CFTRSCN9ACNR2TNIKFPR2
SCHEMBL23958763 0.72 CFTR (0.40) CFTRSCN9ACNR2TNIKFPR2
SCHEMBL23958626 0.72 CFTR (0.40) CFTRSCN9ACNR2TNIKFPR2
SCHEMBL23958593 0.70 CFTR (0.39) CFTRCNR2
SCHEMBL23958627 0.70 CFTR (0.36) CFTRCNR2TNIK

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-2021214136-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2021-10-28 WO disclosed