SCHEMBL6281137

SCHEMBL6281137

COc1ccc2[nH]c3c(c2c1)CCNC31CCN(CCC(=O)c2ccccc2)C1

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CFTR P13569 20/20 0.66

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
SCHEMBL6281134 1.00 CFTR (0.66) CFTR
Trifluoroacetic Acid SCHEMBL6504268 0.95 CFTR (0.60) CFTR
Trifluoroacetic Acid SCHEMBL6275014 0.95 CFTR (0.60) CFTR
Trifluoroacetic Acid SCHEMBL6504278 0.91 CFTR (0.57) CFTR
Trifluoroacetic Acid SCHEMBL6504281 0.91 CFTR (0.57) CFTR
SCHEMBL6493420 0.85 CFTR (0.77) CFTR
SCHEMBL6278783 0.84 CFTR (0.70) CFTR
SCHEMBL6279364 0.84 CFTR (0.69) CFTR
SCHEMBL6279000 0.83 CFTR (0.89) CFTR
Trifluoroacetic Acid SCHEMBL6494099 0.83 CFTR (0.60) 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
WO-2005048916-A2 TETRAHYDROSPIRO-BETA-CARBOLINE-1,3 '-PYRROLIDINE DERIVATIVES AND THEIR USE IN GHSR-RELATED DISORDERS BIOVITRUM AB (SE) 2005-06-02 WO claimed