SCHEMBL8568239

SCHEMBL8568239

CCOc1c(N2CCC(C(C)(C)N)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.65
KDM4E B2RXH2 9/20 0.59
ALDH1A1 P00352 5/20 0.59
HPGD P15428 4/20 0.59
POLB P06746 3/20 0.59
OPRM1 P35372 2/20 0.59
HSD17B10 Q99714 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
PRKD3 O94806 1/20 0.59
ALOX15 P16050 1/20 0.59
CLK2 P49760 1/20 0.59
CLK4 Q9HAZ1 1/20 0.59
CHRM2 P08172 1/20 0.56
CHRM1 P11229 1/20 0.56
OPRD1 P41143 1/20 0.56
LMNA P02545 2/20 0.54
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CYP2C19 P33261 1/20 0.50

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
SCHEMBL8568234 1.00 KCNH2 (0.65) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL8563226 0.91 KCNH2 (0.60) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL8566737 0.91 KCNH2 (0.60) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL8568559 0.91 KCNH2 (0.75) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL8568549 0.91 KCNH2 (0.75) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL8568550 0.91 KCNH2 (0.75) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL8568849 0.90 KCNH2 (0.53) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL8564452 0.88 ALDH1A1 (0.64) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL8564457 0.88 ALDH1A1 (0.64) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL8566001 0.88 KCNH2 (0.56) KCNH2KDM4EALDH1A1HPGDPOLB

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 10 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 claimed
US-5364861-A Bactericides with side effect reduction WARNER-LAMBERT COMPANY (US) 1994-11-15 US claimed
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 claimed
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 claimed
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-5364861-A Bactericides with side effect reduction WARNER-LAMBERT COMPANY (US) 1994-11-15 US 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