SCHEMBL8555828

SCHEMBL8555828

Cc1c(N2CCC(N)C2)c(F)c(Cl)c2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.66
ALDH1A1 P00352 2/20 0.66
OPRM1 P35372 2/20 0.66
CHRM2 P08172 1/20 0.66
CHRM1 P11229 1/20 0.66
OPRD1 P41143 1/20 0.66
KCNH2 Q12809 8/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CACNA1F O60840 1/20 0.51
MAPK1 P28482 1/20 0.51
CACNA1D Q01668 1/20 0.51
CACNA1S Q13698 1/20 0.51
CACNA1C Q13936 1/20 0.51
HRH3 Q9Y5N1 1/20 0.48
RPS6KB1 P23443 1/20 0.48
MATK P42679 1/20 0.48
DYRK1A Q13627 1/20 0.48
MAPKAPK3 Q16644 1/20 0.48
PIM3 Q86V86 1/20 0.48

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
SCHEMBL8111877 0.91 POLB (0.61) POLBALDH1A1OPRM1CHRM2CHRM1
SCHEMBL27508959 0.91 POLB (0.61) POLBALDH1A1OPRM1CHRM2CHRM1
SCHEMBL8559216 0.91 MEN1 (0.62) POLBALDH1A1OPRM1CHRM2CHRM1
SCHEMBL8111701 0.90 POLB (0.68) POLBALDH1A1OPRM1CHRM2CHRM1
SCHEMBL9022766 0.89 KCNH2 (0.64) POLBALDH1A1OPRM1CHRM2CHRM1
SCHEMBL9022992 0.89 KCNH2 (0.64) POLBALDH1A1OPRM1CHRM2CHRM1
Hydrochloric Acid SCHEMBL9023576 0.89 KCNH2 (0.63) POLBALDH1A1OPRM1CHRM2CHRM1
SCHEMBL8110587 0.87 POLB (0.61) POLBALDH1A1OPRM1CHRM2CHRM1
SCHEMBL8557811 0.86 MEN1 (0.51) POLBALDH1A1OPRM1CHRM2CHRM1
SCHEMBL8558544 0.86 KCNH2 (0.66) POLBALDH1A1OPRM1CHRM2CHRM1

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-0823413-A2 Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-02-11 EP disclosed
US-5591744-A 1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXYLATE DERIVATIVES; MICROBIOCIDES OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1997-01-07 US disclosed
US-5495020-A CHEMICAL INTERMEDIATE FOR BACTERICIDES, MICROBIOCIDES, DISINFECTANTS; SIDE EFFECT REDUCTION, ABSORPTION OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1996-02-27 US disclosed
EP-0565132-A2 Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-10-13 EP disclosed
EP-0287951-A2 7-Piperazinyl- or 7-Morpholino-4-oxo-quinoline-3-carboxylic acid derivatives, their preparation and their use as antimicrobial agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-10-26 EP disclosed