SCHEMBL9837378

SCHEMBL9837378

CN1CCN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)CC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.61
CACNA1F O60840 1/20 0.61
MAPK1 P28482 1/20 0.61
CACNA1D Q01668 1/20 0.61
KCNH2 Q12809 1/20 0.61
CACNA1S Q13698 1/20 0.61
CACNA1C Q13936 1/20 0.61
GSK3B P49841 14/20 0.56
TOP2A P11388 2/20 0.53
TOP2B Q02880 2/20 0.53
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
OPRM1 P35372 1/20 0.50
OPRD1 P41143 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
SCHEMBL10412149 0.92 CACNA1F (0.71) POLBCACNA1FMAPK1CACNA1DKCNH2
SCHEMBL8559736 0.89 MEN1 (0.51) POLBCACNA1FMAPK1CACNA1DKCNH2
SCHEMBL10542768 0.88 CACNA1F (0.67) POLBCACNA1FMAPK1CACNA1DKCNH2
SCHEMBL9837622 0.88 POLB (0.61) POLBCACNA1FMAPK1CACNA1DKCNH2
SCHEMBL28454245 0.87 KCNH2 (0.59) POLBCACNA1FMAPK1CACNA1DKCNH2
SCHEMBL9837385 0.86 POLB (0.45) POLBCACNA1FMAPK1CACNA1DKCNH2
SCHEMBL9368503 0.85 POLB (0.69) POLBCACNA1FMAPK1CACNA1DKCNH2
SCHEMBL10339251 0.85 KCNH2 (0.85) POLBCACNA1FMAPK1CACNA1DKCNH2
SCHEMBL7812725 0.84 CACNA1F (0.57) POLBCACNA1FMAPK1CACNA1DKCNH2
SCHEMBL9167285 0.84 POLB (0.57) POLBCACNA1FMAPK1CACNA1DKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1013114-B Amino and the 5-hydroxyl-6 of 5-, 8-two fluoroquinolone antibacterial agent preparation method of composition WARNER LAMBERT CO (US) 1991-07-10 CN claimed
EP-0226961-B1 5-AMINO AND 5-HYDROXY-6,8-DIFLUOROQUINOLONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1991-06-12 EP claimed
US-4977154-A 7-PIPERAZINE DERIVATIVES WARNER-LAMBERT COMPANY (US) 1990-12-11 US claimed
CN-86108942-A Amino and the 5-hydroxyl-6 as the 5-of antimicrobial drug, 8-two fluoroquinolones 1987-11-04 CN claimed
EP-0226961-A1 5-Amino and 5-hydroxy-6,8-difluoroquinolones as antibacterial agents WARNER-LAMBERT COMPANY (US) 1987-07-01 EP claimed
EP-0226961-B1 5-AMINO AND 5-HYDROXY-6,8-DIFLUOROQUINOLONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1991-06-12 EP disclosed
US-4977154-A 7-PIPERAZINE DERIVATIVES WARNER-LAMBERT COMPANY (US) 1990-12-11 US disclosed
CN-86108942-A Amino and the 5-hydroxyl-6 as the 5-of antimicrobial drug, 8-two fluoroquinolones 1987-11-04 CN disclosed
EP-0226961-A1 5-Amino and 5-hydroxy-6,8-difluoroquinolones as antibacterial agents WARNER-LAMBERT COMPANY (US) 1987-07-01 EP disclosed