SCHEMBL8559736

SCHEMBL8559736

Cc1c(F)c(N2CCN(C)CC2)c(Cl)c2c1c(=O)c(C(=O)O)cn2C1CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
KCNH2 Q12809 4/20 0.49
HRH3 Q9Y5N1 2/20 0.49
ALDH1A1 P00352 4/20 0.48
POLB P06746 3/20 0.48
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
MAPK1 P28482 2/20 0.48
CACNA1F O60840 1/20 0.48
CACNA1D Q01668 1/20 0.48
CACNA1S Q13698 1/20 0.48
CACNA1C Q13936 1/20 0.48
TOP2A P11388 3/20 0.47
TOP2B Q02880 3/20 0.47
GSK3B P49841 3/20 0.47
KDM4E B2RXH2 6/20 0.44
HPGD P15428 3/20 0.44

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
SCHEMBL8557677 0.92 MEN1 (0.60) MEN1KMT2AKCNH2HRH3ALDH1A1
SCHEMBL8103132 0.91 MEN1 (0.53) MEN1KMT2AKCNH2HRH3ALDH1A1
SCHEMBL10586117 0.90 ALDH1A1 (0.52) MEN1KMT2AKCNH2HRH3ALDH1A1
SCHEMBL8557613 0.89 KCNH2 (0.55) MEN1KMT2AKCNH2HRH3ALDH1A1
SCHEMBL9837378 0.89 POLB (0.61) MEN1KMT2AKCNH2ALDH1A1POLB
SCHEMBL8557811 0.88 MEN1 (0.51) MEN1KMT2AKCNH2HRH3ALDH1A1
SCHEMBL10585596 0.88 KCNH2 (0.55) MEN1KMT2AKCNH2HRH3ALDH1A1
SCHEMBL8111701 0.85 POLB (0.68) MEN1KMT2AKCNH2HRH3ALDH1A1
SCHEMBL10586254 0.85 MEN1 (0.48) MEN1KMT2AKCNH2HRH3ALDH1A1
SCHEMBL8558156 0.85 MEN1 (0.61) MEN1KMT2AKCNH2HRH3ALDH1A1

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 7 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-0319906-A2 Novel quinoline derivatives, processes for preparation thereof and antibacterial agent containing them Dainippon Pharmaceutical Co., Ltd. (JP) 1989-06-14 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