SCHEMBL4775755

SCHEMBL4775755

CC(C)(C)C1CC(N(Cc2cc3c(cn2)OCCO3)C(=O)O)CCN1CCn1c(=O)cnc2cc(F)ccc21

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 15/20 0.41
HTR2A P28223 3/20 0.32

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
SCHEMBL3840179 0.86 KCNH2 (0.38) KCNH2HTR2A
SCHEMBL2796082 0.85 KCNH2 (0.39) KCNH2HTR2A
SCHEMBL4775988 0.85 KCNH2 (0.51) KCNH2
SCHEMBL4779477 0.84 KCNH2 (0.57) KCNH2
SCHEMBL4297660 0.83 KCNH2 (0.45) KCNH2
SCHEMBL4779532 0.83 KCNH2 (0.41) KCNH2HTR2A
SCHEMBL2797333 0.82 UBE2M (0.38) KCNH2
SCHEMBL4778509 0.81 KCNH2 (0.51) KCNH2
SCHEMBL4775750 0.81 KCNH2 (0.48) KCNH2HTR2A
SCHEMBL4778712 0.79 KCNH2 (0.57) 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-1992628-A1 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2008-11-19 EP disclosed