SCHEMBL8326525

SCHEMBL8326525

COc1c(N2CC[C@@H](C(C)N)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 1.00
KDM4E B2RXH2 9/20 0.70
ALDH1A1 P00352 5/20 0.70
HPGD P15428 4/20 0.70
POLB P06746 3/20 0.70
HSD17B10 Q99714 2/20 0.70
OPRM1 P35372 2/20 0.70
TDP1 Q9NUW8 2/20 0.70
PRKD3 O94806 1/20 0.70
ALOX15 P16050 1/20 0.70
CLK2 P49760 1/20 0.70
CLK4 Q9HAZ1 1/20 0.70
LMNA P02545 2/20 0.64
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
CYP2C19 P33261 1/20 0.61
CHRM2 P08172 1/20 0.58
CHRM1 P11229 1/20 0.58
OPRD1 P41143 1/20 0.58

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
SCHEMBL8332062 1.00 KCNH2 (1.00) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL6530382 1.00 KCNH2 (1.00) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL9540968 0.92 KCNH2 (0.86) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL6472132 0.92 KCNH2 (0.85) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL8326778 0.92 KCNH2 (0.84) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL8329949 0.92 KCNH2 (0.84) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL8326782 0.92 KCNH2 (0.84) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL6473943 0.91 KCNH2 (0.84) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL8331194 0.91 KCNH2 (0.83) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL8327660 0.91 KCNH2 (0.83) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0559774-B1 INDIVIDUAL STEREOISOMERS OF 7- 3-(1-AMINOALKYL)-1-PYRROLIDINYL]-QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER LAMBERT CO (US) 1999-07-07 EP claimed
US-5563155-A QUINOLONE ANTIBIOTICS WITH INCREASED EFFICACY, REDUCED SIDE EFFECTS WARNER-LAMBERT COMPANY (US) 1996-10-08 US claimed
WO-1992009596-A1 INDIVIDUAL STEREOISOMERS OF 7-[3-(1-AMINOALKYL)-1-PYRROLIDINYL]-QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1992-06-11 WO claimed
EP-0559774-B1 INDIVIDUAL STEREOISOMERS OF 7- 3-(1-AMINOALKYL)-1-PYRROLIDINYL]-QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER LAMBERT CO (US) 1999-07-07 EP disclosed
US-5633264-A Individual stereoisomers of 7-[3-(1-aminoalkyl)-1-pyrrolidinyl]-Quinolones and naphthyridones as antibacterial agents WARNER-LAMBERT COMPANY (US) 1997-05-27 US disclosed
US-5563155-A QUINOLONE ANTIBIOTICS WITH INCREASED EFFICACY, REDUCED SIDE EFFECTS WARNER-LAMBERT COMPANY (US) 1996-10-08 US disclosed
US-5461165-A Individual stereoisomers of intermediates of 7-[3-(1-aminoalkyl)-1-pyrrolidinyl]-quinolones and naphthyridones as antibacterial agents WARNER-LAMBERT COMPANY (US) 1995-10-24 US disclosed
US-5344940-A Bactericides WARNER-LAMBERT COMPANY (US) 1994-09-06 US disclosed
US-5258528-A Bactericides WARNER-LAMBERT COMPANY (US) 1993-11-02 US disclosed
EP-0559774-A1 INDIVIDUAL STEREOISOMERS OF 7- 3-(1-AMINOALKYL)-1-PYRROLIDINYL]-QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1993-09-15 EP disclosed
WO-1992009596-A1 INDIVIDUAL STEREOISOMERS OF 7-[3-(1-AMINOALKYL)-1-PYRROLIDINYL]-QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1992-06-11 WO disclosed