SCHEMBL23958627

SCHEMBL23958627

CC(C)(O)c1cc(C(CN)C2CC2)nc(-c2ccc(F)cc2)c1F

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.36
RPS6KB1 P23443 3/20 0.32
CNR2 P34972 4/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
TNIK Q9UKE5 1/20 0.31
CNR1 P21554 1/20 0.31
DPP4 P27487 1/20 0.30
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
HRH2 P25021 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
SLC34A1 Q06495 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
SCHEMBL23958856 0.91 PGR (0.30)
SCHEMBL23958778 0.90 DGAT1 (0.33) CYP11B1CYP11B2
SCHEMBL23958709 0.89 FFAR1 (0.31)
SCHEMBL23958741 0.88 TACR3 (0.35) DPP4ALDH1A1
SCHEMBL23958793 0.87 CFTR (0.35) CFTRCNR2CYP11B1CYP11B2CNR1
SCHEMBL26926330 0.82 CFTR (0.39) CFTRCNR2CNR1ALDH1A1L3MBTL1
SCHEMBL23958855 0.81 CFTR (0.38) CFTRCNR2TNIKCNR1ALDH1A1
SCHEMBL23958626 0.81 CFTR (0.40) CFTRCNR2TNIKCNR1ALDH1A1
SCHEMBL23958714 0.81 CFTR (0.40) CFTRCNR2TNIKCNR1ALDH1A1
SCHEMBL23958763 0.81 CFTR (0.40) CFTRCNR2TNIKCNR1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023211997-A1 ANTIVIRAL COMPOUNDS ENANTA PHARMACEUTICALS, INC. (US) 2023-11-02 WO disclosed
WO-2021214136-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2021-10-28 WO disclosed