SCHEMBL19211564

SCHEMBL19211564

CCOC(Cn1c(=O)ccc2ccc(OCCCNC(=O)O)nc21)OCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.35
MTNR1B P49286 3/20 0.35
CDK4 P11802 8/20 0.34
CCND1 P24385 8/20 0.34
CCND2 P30279 8/20 0.34
CCND3 P30281 8/20 0.34
RECQL P46063 1/20 0.34
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 1/20 0.32
GRM5 P41594 1/20 0.32
CCNB2 O95067 2/20 0.32
CCNE2 O96020 2/20 0.32
CDK1 P06493 2/20 0.32
FGFR1 P11362 2/20 0.32
CCNB1 P14635 2/20 0.32
CCNA2 P20248 2/20 0.32
FGFR2 P21802 2/20 0.32
FGFR4 P22455 2/20 0.32
FGFR3 P22607 2/20 0.32

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
SCHEMBL19212793 0.97 MTNR1A (0.35) MTNR1AMTNR1BCDK4CCND1CCND2
SCHEMBL19211615 0.84 PKM (0.36) CDK4CCND1CCND2CCND3KDM4E
SCHEMBL19211603 0.80 CDK4 (0.34) MTNR1AMTNR1BCDK4CCND1CCND2
SCHEMBL19212863 0.76 ACSS2 (0.39) MTNR1AMTNR1BRECQLKDM4EHSD17B10
SCHEMBL19212782 0.76 CDK4 (0.34) MTNR1AMTNR1BCDK4CCND1CCND2
SCHEMBL19211571 0.71 PKM (0.40) CDK4CCND1CCND2CCND3KDM4E
SCHEMBL19211604 0.69 MAPT (0.37) CDK4CCND1CCND2CCND3KDM4E
SCHEMBL19211574 0.68 CDK4 (0.44) CDK4CCND1CCND2CCND3ALDH1A1
SCHEMBL18264072 0.68 L3MBTL1 (0.50)
SCHEMBL18544236 0.66 KCNH2 (0.40) MTNR1AMTNR1BCDK4CCND1CCND2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3414246-A1 ANTIBACTERIAL COMPOUNDS Redx Pharma PLC (GB) 2018-12-19 EP disclosed
EP-3413976-A1 HETEROCYCLIC COMPOUNDS, IN PARTICULAR 2-OXO-4,4,5,5,6,6,7,7-OCTAHYDROBENZOXAZOLE DERIVATIVES, AND THEIR USE AS ANTIBACTERIAL COMPOUNDS Redx Pharma PLC (GB) 2018-12-19 EP disclosed
WO-2017137743-A1 ANTIBACTERIAL COMPOUNDS REDX PHARMA PLC (GB) 2017-08-17 WO disclosed
WO-2017137744-A1 HETEROCYCLIC COMPOUNDS, IN PARTICULAR 2-OXO-4,4,5,5,6,6,7,7-OCTAHYDROBENZOXAZOLE DERIVATIVES, AND THEIR USE AS ANTIBACTERIAL COMPOUNDS REDX PHARMA PLC (GB) 2017-08-17 WO disclosed