SCHEMBL2821729

SCHEMBL2821729

COc1ccc2ncc(F)c(C[C@H](O)CN3CCC(N(C(=O)O)C(C)(C)C)CC3)c2n1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.43
SLC2A1 P11166 2/20 0.41

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
SCHEMBL2821724 1.00 KCNH2 (0.43) KCNH2SLC2A1
SCHEMBL3602618 0.81 CYP2D6 (0.41) KCNH2SLC2A1
SCHEMBL3551285 0.77 KCNH2 (0.39) KCNH2SLC2A1
SCHEMBL909966 0.77 KCNH2 (0.45) KCNH2SLC2A1
SCHEMBL910385 0.77 KCNH2 (0.45) KCNH2SLC2A1
SCHEMBL909967 0.77 KCNH2 (0.45) KCNH2SLC2A1
SCHEMBL2502423 0.76 KCNH2 (0.45) KCNH2
SCHEMBL3217443 0.75 SLC2A1 (0.35) KCNH2SLC2A1
SCHEMBL910445 0.74 KCNH2 (0.39) KCNH2
SCHEMBL910443 0.74 KCNH2 (0.39) KCNH2

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-2041145-B1 AZATRICYCLIC COMPOUNDS AND THEIR USE GLAXO GROUP LTD (GB) 2010-10-27 EP disclosed