SCHEMBL8563936

SCHEMBL8563936

CC(C)(C)OC(=O)NC(C)(C)C1CCN(c2cc3c(c(N)c2F)c(=O)c(C(=O)O)cn3C2CC2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.50
HRH3 Q9Y5N1 1/20 0.50
CACNA1F O60840 1/20 0.45
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
CACNA1D Q01668 1/20 0.45
CACNA1S Q13698 1/20 0.45
CACNA1C Q13936 1/20 0.45
GSK3B P49841 8/20 0.45
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPT P10636 1/20 0.41
TOP2A P11388 2/20 0.41
TOP2B Q02880 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
MEN1 O00255 1/20 0.40

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
SCHEMBL8563927 1.00 KCNH2 (0.50) KCNH2HRH3CACNA1FPOLBMAPK1
SCHEMBL9422758 0.92 KCNH2 (0.49) KCNH2HRH3CACNA1FPOLBMAPK1
SCHEMBL9422761 0.92 KCNH2 (0.49) KCNH2HRH3CACNA1FPOLBMAPK1
SCHEMBL8568909 0.89 KCNH2 (0.54) KCNH2HRH3CACNA1FPOLBMAPK1
SCHEMBL8568906 0.89 KCNH2 (0.54) KCNH2HRH3CACNA1FPOLBMAPK1
SCHEMBL8573733 0.86 KCNH2 (0.56) KCNH2HRH3CACNA1FPOLBMAPK1
SCHEMBL8566245 0.86 KCNH2 (0.56) KCNH2HRH3CACNA1FPOLBMAPK1
SCHEMBL8565922 0.85 KDM4E (0.60) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL8565928 0.85 KDM4E (0.60) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL8563931 0.83 KCNH2 (0.47) KCNH2HRH3CACNA1FPOLBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0559752-B1 OPTICAL ISOMERS OF 7- 3-(1,1-DIALKYLMETHYL-1-AMINO-1-PYRROLIDINYL]-QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER LAMBERT CO (US) 1998-01-28 EP disclosed
US-5278317-A Aminomethylpyrrole WARNER-LAMBERT COMPANY (US) 1994-01-11 US disclosed
EP-0559752-A1 OPTICAL ISOMERS OF 7- 3-(1,1-DIALKYLMETHYL-1-AMINO-1-PYRROLIDINYL]-QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1993-09-15 EP disclosed
US-5157128-A Antibacterial agents WARNER-LAMBERT COMPANY (US) 1992-10-20 US disclosed
WO-1992009597-A1 OPTICAL ISOMERS OF 7-[3-(1,1-DIALKYLMETHYL-1-AMINO-1-PYRROLIDINYL]-QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1992-06-11 WO disclosed