SCHEMBL29642860

SCHEMBL29642860

COc1ccc2c(c1)O[C@@H]([C@H]1CC[C@H](C(=O)O)CC1)C[C@H]2NC(=O)C1(c2ccc3c(c2)OC(F)(F)O3)CC1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CFTR P13569 20/20 0.71
GABRA1 P14867 2/20 0.65
TMEM97 Q5BJF2 2/20 0.65
SIGMAR1 Q99720 2/20 0.65

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
SCHEMBL19469593 1.00 CFTR (0.71) CFTRGABRA1TMEM97SIGMAR1
SCHEMBL19469597 1.00 CFTR (0.71) CFTRGABRA1TMEM97SIGMAR1
SCHEMBL19469596 1.00 CFTR (0.71) CFTRGABRA1TMEM97SIGMAR1
SCHEMBL17709141 0.95 CFTR (0.75) CFTRGABRA1TMEM97SIGMAR1
SCHEMBL17709089 0.95 CFTR (0.75) CFTRGABRA1TMEM97SIGMAR1
SCHEMBL17708735 0.92 CFTR (0.68) CFTRGABRA1TMEM97SIGMAR1
SCHEMBL29642784 0.92 CFTR (0.68) CFTRGABRA1TMEM97SIGMAR1
SCHEMBL19469577 0.92 CFTR (0.68) CFTRGABRA1TMEM97SIGMAR1
SCHEMBL19469575 0.92 CFTR (0.68) CFTRGABRA1TMEM97SIGMAR1
SCHEMBL19469579 0.92 CFTR (0.68) CFTRGABRA1TMEM97SIGMAR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114671864-B Heteroaryl substituted pyridines and methods of use 艾伯维公司 2025-04-08 CN disclosed
WO-2022150173-A1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE AbbVie Global Enterprises Ltd. (BM) 2022-07-14 WO disclosed
CN-114671864-A Heteroaryl substituted pyridines and methods of use 艾伯维公司 2022-06-28 CN disclosed
CN-109311864-B Heteroaryl substituted pyridines and methods of use 艾伯维公司 2022-05-10 CN disclosed