SCHEMBL27804841

SCHEMBL27804841

CCN(CC)C(c1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1)c1cccc(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CFTR P13569 20/20 0.48

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
SCHEMBL27825686 0.91 CFTR (0.50) CFTR
SCHEMBL27804848 0.87 CFTR (0.52) CFTR
SCHEMBL4122517 0.87 CFTR (0.47) CFTR
SCHEMBL27804842 0.85 CFTR (0.51) CFTR
SCHEMBL12027069 0.85 CFTR (0.58) CFTR
SCHEMBL27825454 0.84 CFTR (0.46) CFTR
SCHEMBL27977473 0.83 CFTR (0.48) CFTR
SCHEMBL27825584 0.82 CFTR (0.48) CFTR
SCHEMBL4121715 0.82 CFTR (0.47) CFTR
SCHEMBL27804843 0.82 CFTR (0.44) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103951614-A Pyridyl derivatives as CFTR modulators VERTEX PHARMA 2014-07-30 CN disclosed
CN-101981011-A Pyridyl derivatives as CFTR modulators VERTEX PHARMA 2011-02-23 CN disclosed