SCHEMBL13315219

SCHEMBL13315219

CO[C@@H]1CN(CC2Cn3c(=O)ccc4ncc(F)c2c43)CC[C@@H]1NCc1cc(C#N)c2c(c1)CCO2

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 15/20 0.49
SLC2A1 P11166 2/20 0.44

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
SCHEMBL3547809 1.00 KCNH2 (0.49) KCNH2SLC2A1
SCHEMBL3548360 0.88 KCNH2 (0.63) KCNH2SLC2A1
SCHEMBL14386284 0.81 KCNH2 (0.64) KCNH2
SCHEMBL3547140 0.81 KCNH2 (0.64) KCNH2
SCHEMBL3543479 0.80 KCNH2 (0.76) KCNH2
SCHEMBL3549818 0.79 KCNH2 (0.70) KCNH2SLC2A1
SCHEMBL13839752 0.78 KCNH2 (0.46) KCNH2
SCHEMBL3544976 0.77 KCNH2 (0.58) KCNH2SLC2A1
SCHEMBL3543685 0.77 KCNH2 (0.61) KCNH2SLC2A1
Hydrochloric Acid SCHEMBL3550429 0.77 KCNH2 (0.57) KCNH2SLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732461-B2 (4S)-4-({4-[(2,3-Dihydro[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)amino]-1-piperidinyl}methyl)-3-fluoro-4-hydroxy-4,5-dihydro-7H-pyrrolo[3,2,1-de]-1,5-naphthyridin-7-one, used in the treatment of bacterial infections caused by a wide range of organisms including both gramnegative and grampositive bacteria GLAXO GROUP LIMITED (GB) 2010-06-08 US disclosed
US-7732461-B2 (4S)-4-({4-[(2,3-Dihydro[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)amino]-1-piperidinyl}methyl)-3-fluoro-4-hydroxy-4,5-dihydro-7H-pyrrolo[3,2,1-de]-1,5-naphthyridin-7-one, used in the treatment of bacterial infections caused by a wide range of organisms including both gramnegative and grampositive bacteria GLAXO GROUP LIMITED (GB) 2010-06-08 US disclosed