SCHEMBL5015196

SCHEMBL5015196

COc1cnc2ccc(F)c(C(CO)C[N+]3(C(C)(C)C)CCC(NC(=O)[O-])CC3)c2n1

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 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
SCHEMBL5744761 0.87 KCNH2 (0.34) KCNH2
SCHEMBL2937076 0.76 KCNH2 (0.45) KCNH2
SCHEMBL5023793 0.76
SCHEMBL5307877 0.71 KCNH2 (0.47) KCNH2
SCHEMBL3541372 0.69 KCNH2 (0.52) KCNH2
SCHEMBL1075324 0.68 KCNH2 (0.49) KCNH2
SCHEMBL5746847 0.68 KCNH2 (0.41) KCNH2
SCHEMBL1712457 0.68 TRPA1 (0.36) KCNH2
SCHEMBL1712460 0.68 TRPA1 (0.36) KCNH2
SCHEMBL1723590 0.67 KCNH2 (0.40) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2001887-A1 PYRROLO-QUINOXALINONE DERIVATIVES AS ANTIBACTERIALS Glaxo Group Limited (GB) 2008-12-17 EP disclosed
EP-1893581-A1 SUBSTITUTED ARYLPYRAZOLES FOR USE AGAINST PARASITITES Pfizer Limited (GB) 2008-03-05 EP disclosed
WO-2007115947-A1 PYRROLO-QUINOXALINONE DERIVATIVES AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2007-10-18 WO disclosed
WO-2006134468-A1 SUBSTITUTED ARYLPYRAZOLES FOR USE AGAINST PARASITITES PFIZER LIMITED (GB) 2006-12-21 WO disclosed