SCHEMBL23958681

SCHEMBL23958681

CC(C)(O)c1cc([C@H](CN)C(F)(F)F)nc(-c2ccc(Cl)cc2)c1F

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.32
PGR P06401 1/20 0.32
DHODH Q02127 1/20 0.31
AAK1 Q2M2I8 5/20 0.31
MRGPRX4 Q96LA9 1/20 0.30
CNR1 P21554 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
SCHEMBL23958688 1.00 CFTR (0.32) CFTRPGRDHODHAAK1MRGPRX4
SCHEMBL23958626 0.91 CFTR (0.40) CFTRAAK1CNR1
SCHEMBL23958763 0.91 CFTR (0.40) CFTRAAK1CNR1
SCHEMBL23958876 0.90 CFTR (0.33) CFTRAAK1
SCHEMBL23958867 0.89 CFTR (0.32) CFTR
SCHEMBL23958682 0.88 XDH (0.34) CFTRAAK1
SCHEMBL23958593 0.84 CFTR (0.39) CFTRAAK1CNR1
SCHEMBL23958714 0.84 CFTR (0.40) CFTRAAK1CNR1
SCHEMBL23958856 0.81 PGR (0.30) PGR
SCHEMBL26926330 0.76 CFTR (0.39) CFTRCNR1

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