SCHEMBL23958587

SCHEMBL23958587

CC(C)(O)c1cc(C(CNC=O)C2CC2)nc(-c2ccc(F)cc2)c1Cl

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.34
ABL1 P00519 2/20 0.32
CNR1 P21554 2/20 0.31
CNR2 P34972 2/20 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
SCHEMBL23958739 0.82 TRPV3 (0.34) CFTR
SCHEMBL23958793 0.78 CFTR (0.35) CFTRCNR1CNR2
SCHEMBL23958820 0.75 CFTR (0.37) CFTRCNR1CNR2
SCHEMBL23958756 0.74 SLC34A1 (0.33)
SCHEMBL23958627 0.74 CFTR (0.36) CFTRCNR1CNR2
SCHEMBL23958642 0.72 CFTR (0.38) CFTRCNR1CNR2
SCHEMBL23958593 0.70 CFTR (0.39) CFTRCNR1CNR2
SCHEMBL23930254 0.70 CFTR (0.33) CFTRCNR1CNR2
SCHEMBL23930153 0.69 ADORA2A (0.40) CFTRCNR1CNR2
SCHEMBL30007319 0.69 ADORA2A (0.40) CFTRCNR1CNR2

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