SCHEMBL20496291

SCHEMBL20496291

[CH2]n1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC(C)(C)OC3(C)C)n1

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 20/20 0.64

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
SCHEMBL16445859 0.89 CFTR (0.65) CFTR
SCHEMBL16444998 0.88 CFTR (0.62) CFTR
SCHEMBL16445335 0.84 CFTR (0.59) CFTR
SCHEMBL16445431 0.84 CFTR (0.61) CFTR
SCHEMBL20496295 0.83 CFTR (0.66) CFTR
SCHEMBL16445540 0.82 CFTR (0.56) CFTR
SCHEMBL20496290 0.82 CFTR (0.62) CFTR
SCHEMBL19925223 0.81 CFTR (0.55) CFTR
SCHEMBL16450537 0.80 CFTR (0.71) CFTR
SCHEMBL16445600 0.80 CFTR (0.63) CFTR

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
EP-3030568-B1 THIENO[2,3-C]PYRANS AS CFTR MODULATORS GALAPAGOS NV (BE) 2018-09-19 — — EP claimed
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