SCHEMBL8552925

SCHEMBL8552925

Cc1c(F)c(N2CCNC(N)C2)c(Cl)c2c1c(=O)c(C(=O)O)cn2C1CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.57
HRH3 Q9Y5N1 1/20 0.57
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 4/20 0.52
POLB P06746 3/20 0.52
OPRM1 P35372 2/20 0.52
CHRM2 P08172 1/20 0.52
CHRM1 P11229 1/20 0.52
OPRD1 P41143 1/20 0.52
CACNA1F O60840 1/20 0.49
MAPK1 P28482 1/20 0.49
CACNA1D Q01668 1/20 0.49
CACNA1S Q13698 1/20 0.49
CACNA1C Q13936 1/20 0.49
KDM4E B2RXH2 3/20 0.49
HPGD P15428 3/20 0.49
HSD17B10 Q99714 3/20 0.49
PRKD3 O94806 1/20 0.49
ALOX15 P16050 1/20 0.49

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
SCHEMBL8554461 0.91 KCNH2 (0.69) KCNH2HRH3MEN1KMT2AALDH1A1
SCHEMBL8111701 0.87 POLB (0.68) KCNH2HRH3MEN1KMT2AALDH1A1
SCHEMBL8557613 0.87 KCNH2 (0.55) KCNH2HRH3MEN1KMT2AALDH1A1
SCHEMBL8558517 0.83 KCNH2 (0.70) KCNH2HRH3MEN1KMT2AALDH1A1
SCHEMBL9837304 0.83 KCNH2 (0.69) KCNH2HRH3MEN1KMT2AALDH1A1
SCHEMBL9066593 0.83 POLB (0.53) KCNH2HRH3MEN1KMT2AALDH1A1
SCHEMBL9066598 0.83 POLB (0.53) KCNH2HRH3MEN1KMT2AALDH1A1
SCHEMBL7852288 0.83 POLB (0.53) KCNH2HRH3MEN1KMT2AALDH1A1
SCHEMBL8554356 0.83 KCNH2 (0.69) KCNH2HRH3MEN1KMT2AALDH1A1
SCHEMBL8559736 0.82 MEN1 (0.51) KCNH2HRH3MEN1KMT2AALDH1A1

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-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
EP-0287951-B1 7-Piperazinyl- or 7-Morpholino-4-oxo-quinoline-3-carboxylic acid derivatives, their preparation and their use as antimicrobial agents OTSUKA PHARMA CO LTD (JP) 1996-07-03 EP 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