SCHEMBL4428675

SCHEMBL4428675

COc1ccc2ccc(F)c(C(CO)C[N+]3(NC(=O)[O-])CCCCC3)c2n1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.35
MTNR1A P48039 12/20 0.32
MTNR1B P49286 12/20 0.32
HTR2C P28335 3/20 0.32
KCNH2 Q12809 1/20 0.30

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
SCHEMBL4797208 0.89 MTNR1A (0.32) MTNR1AMTNR1BHTR2C
SCHEMBL3214187 0.77 PTGS2 (0.37) PTGS2MTNR1AMTNR1BHTR2CKCNH2
SCHEMBL1837381 0.72 MTNR1A (0.36) PTGS2MTNR1AMTNR1BHTR2CKCNH2
SCHEMBL1711854 0.71 MTNR1A (0.35) PTGS2MTNR1AMTNR1BHTR2CKCNH2
SCHEMBL1711953 0.70 MTNR1A (0.39) PTGS2MTNR1AMTNR1BHTR2C
SCHEMBL14995338 0.68 PTGS2 (0.36) PTGS2MTNR1AMTNR1BHTR2CKCNH2
SCHEMBL1711943 0.68 MTNR1A (0.42) PTGS2MTNR1AMTNR1BHTR2C
SCHEMBL3213697 0.67 MTNR1A (0.40) PTGS2MTNR1AMTNR1BHTR2C
SCHEMBL1036797 0.67 SLC2A1 (0.42) MTNR1AMTNR1BHTR2CKCNH2
SCHEMBL3400408 0.66 POLB (0.40) PTGS2MTNR1AMTNR1BHTR2C

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-2136807-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE DERIVATIVES FOR TREATING TUBERCULOSIS Glaxo Group Limited (GB) 2009-12-30 EP disclosed
WO-2008125594-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE DERIVATIVES FOR TREATING TUBERCULOSIS GLAXO GROUP LIMITED (GB) 2008-10-23 WO disclosed
EP-1954697-A2 PERI CONDENSED TRICYCLIC COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2008-08-13 EP disclosed
WO-2007081597-A2 PERI CONDENSED TRICYCLIC COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-07-19 WO disclosed