SCHEMBL23958820

SCHEMBL23958820

CC(C)(O)c1cc([C@](C)(O)CNC=O)nc(-c2ccc(F)cc2)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.37
CNR2 P34972 4/20 0.34
CNR1 P21554 3/20 0.34
SLC34A1 Q06495 5/20 0.33
ALOX5 P09917 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
FPR2 P25090 1/20 0.31
SCN9A Q15858 1/20 0.31
DHODH Q02127 1/20 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
SCHEMBL28909204 0.85 CFTR (0.41) CFTRDHODH
SCHEMBL23958821 0.82 CFTR (0.36) CFTRCNR2CNR1SLC34A1
SCHEMBL25686491 0.82 CFTR (0.36) CFTRCNR2CNR1SLC34A1
SCHEMBL23930276 0.82 CFTR (0.36) CFTRCNR2CNR1SLC34A1
SCHEMBL23958684 0.81 CFTR (0.41) CFTRCNR2CNR1MAPTFPR2
SCHEMBL25279639 0.76 CFTR (0.43) CFTRCNR2CNR1ALDH1A1MAPT
SCHEMBL23958587 0.75 CFTR (0.34) CFTRCNR2CNR1
SCHEMBL23930153 0.74 ADORA2A (0.40) CFTRCNR2CNR1SLC34A1
SCHEMBL30007319 0.74 ADORA2A (0.40) CFTRCNR2CNR1SLC34A1
SCHEMBL23958938 0.74 CFTR (0.38) CFTRCNR2CNR1SLC34A1

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