SCHEMBL6498226

SCHEMBL6498226

CCCCCCCN1CCN(C(=O)OCc2ccccc2)[C@H](C(=O)OC)C1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.52
ELANE P08246 1/20 0.47
TMEM97 Q5BJF2 6/20 0.47
SIGMAR1 Q99720 6/20 0.47
NPSR1 Q6W5P4 1/20 0.44
PREP P48147 1/20 0.44
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
MMP1 P03956 1/20 0.43
MMP3 P08254 1/20 0.43
MMP7 P09237 1/20 0.43
MMP9 P14780 1/20 0.43
MMP13 P45452 1/20 0.43
ALDH1A1 P00352 1/20 0.42
FKBP1A P62942 1/20 0.42

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
SCHEMBL7499928 1.00 PRCP (0.52) PRCPELANETMEM97SIGMAR1NPSR1
SCHEMBL4278572 0.85 PDK1 (0.53) PRCPELANETMEM97SIGMAR1
SCHEMBL23533378 0.83 SIGMAR1 (0.46) PRCPELANETMEM97SIGMAR1
SCHEMBL6141635 0.82 FKBP1A (0.51) TMEM97SIGMAR1NPSR1PREPTSHR
SCHEMBL15298942 0.82 FKBP1A (0.51) TMEM97SIGMAR1NPSR1PREPTSHR
SCHEMBL8487526 0.81 SMN1; SMN2 (0.54) NPSR1PREPMMP1MMP3MMP7
SCHEMBL18851102 0.80 DRD2 (0.49) SIGMAR1NPSR1FKBP1A
SCHEMBL2300448 0.80 POLB (0.52) NPSR1PREPALDH1A1FKBP1A
SCHEMBL1864842 0.80 POLB (0.52) NPSR1PREPALDH1A1FKBP1A
SCHEMBL7802196 0.80 POLB (0.52) NPSR1PREPALDH1A1FKBP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6911442-B1 Quinoline derivatives as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2005-06-28 US disclosed
EP-1187828-B1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2004-04-21 EP disclosed