SCHEMBL4779527

SCHEMBL4779527

COc1cc(F)cc2c1ccc(=O)n2CCN1CCC(N(Cc2cc3c(cn2)OCCO3)C(=O)OC(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 16/20 0.46
NR1H4 Q96RI1 1/20 0.41
HTR2A P28223 1/20 0.34

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
SCHEMBL4303026 0.91 KCNH2 (0.51) KCNH2
SCHEMBL4297655 0.89 KCNH2 (0.51) KCNH2
SCHEMBL4778673 0.88 KCNH2 (0.52) KCNH2NR1H4HTR2A
SCHEMBL4296642 0.88 KCNH2 (0.54) KCNH2NR1H4HTR2A
SCHEMBL10313895 0.88 KCNH2 (0.50) KCNH2
SCHEMBL4294604 0.86 KCNH2 (0.42) KCNH2NR1H4HTR2A
SCHEMBL4304741 0.85 KCNH2 (0.44) KCNH2NR1H4HTR2A
SCHEMBL10313961 0.85 KCNH2 (0.47) KCNH2
SCHEMBL4775985 0.84 KCNH2 (0.58) KCNH2
SCHEMBL4775750 0.84 KCNH2 (0.48) KCNH2NR1H4HTR2A

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