SCHEMBL6586947

SCHEMBL6586947

CCC1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2C)CCC1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.71
ALDH1A1 P00352 6/20 0.57
POLB P06746 2/20 0.57
OPRM1 P35372 2/20 0.57
CHRM2 P08172 1/20 0.57
CHRM1 P11229 1/20 0.57
OPRD1 P41143 1/20 0.57
KDM4E B2RXH2 5/20 0.53
HPGD P15428 5/20 0.53
HSD17B10 Q99714 4/20 0.53
PRKD3 O94806 1/20 0.53
ALOX15 P16050 1/20 0.53
CLK2 P49760 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
LMNA P02545 3/20 0.49
TOP2A P11388 3/20 0.49
TOP2B Q02880 3/20 0.49
MAPT P10636 1/20 0.48
MEN1 O00255 1/20 0.46

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
SCHEMBL6370822 0.93 KCNH2 (0.68) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL6425864 0.90 KCNH2 (0.58) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL6625898 0.90 KCNH2 (0.58) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL4372657 0.89 KCNH2 (0.73) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL6586564 0.89 KCNH2 (0.73) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL6586555 0.89 KCNH2 (0.73) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL4367149 0.88 KCNH2 (0.71) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL4367145 0.88 KCNH2 (0.71) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL2364871 0.88 KCNH2 (0.71) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL4364251 0.88 KCNH2 (0.71) KCNH2ALDH1A1POLBOPRM1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1453824-A1 NEW GENERATION TRIPLE-TARGETING, CHIRAL, BROAD-SPECTRUM ANTIMICROBIAL 7-SUBSTITUTED PIPERIDINO-QUINOLONE CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION, COMPOSITIONS AND USE AS MEDICAMENTS Wockhardt Limited (IN) 2004-09-08 EP claimed
WO-2003050107-A1 NEW GENERATION TRIPLE-TARGETING, CHIRAL, BROAD-SPECTRUM ANTIMICROBIAL 7-SUBSTITUTED PIPERIDINO-QUINOLONE CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION, COMPOSITIONS AND USE AS MEDICAMENTS WOCKHARDT LIMITED (IN) 2003-06-19 WO claimed
EP-1453824-A1 NEW GENERATION TRIPLE-TARGETING, CHIRAL, BROAD-SPECTRUM ANTIMICROBIAL 7-SUBSTITUTED PIPERIDINO-QUINOLONE CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION, COMPOSITIONS AND USE AS MEDICAMENTS Wockhardt Limited (IN) 2004-09-08 EP disclosed
EP-1392677-A2 CHIRAL BROAD-SPECTRUM ANTIBACTERIAL 7-SUBSTITUTED PIPERIDINO-QUINOLONE CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND COMPOSITIONS Wockhardt Limited (IN) 2004-03-03 EP disclosed
WO-2003050107-A1 NEW GENERATION TRIPLE-TARGETING, CHIRAL, BROAD-SPECTRUM ANTIMICROBIAL 7-SUBSTITUTED PIPERIDINO-QUINOLONE CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION, COMPOSITIONS AND USE AS MEDICAMENTS WOCKHARDT LIMITED (IN) 2003-06-19 WO disclosed
WO-2002085886-A2 CHIRAL, BROAD-SPECTRUM ANTIBACTERIAL 7-SUBSTITUTED PIPERIDINO-QUINOLONE CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND COMPOSITIONS WOCKHARDT LIMITED (IN) 2002-10-31 WO disclosed