SCHEMBL8360229

SCHEMBL8360229

O=C(NCc1cccc(F)c1)c1cc(C(=O)NCc2cccc(Cl)c2)ncn1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 8/20 0.61
NPC1 O15118 1/20 0.51
HSD17B13 Q7Z5P4 1/20 0.48
OPRM1 P35372 1/20 0.48
OPRL1 P41146 1/20 0.48
CCR1 P32246 1/20 0.47
CNR1 P21554 1/20 0.47

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
SCHEMBL8358829 0.92 MMP13 (0.70) MMP13HSD17B13
SCHEMBL8358832 0.92 MMP13 (0.70) MMP13NPC1
SCHEMBL8357422 0.89 MMP13 (0.61) MMP13HSD17B13CNR1
SCHEMBL5615646 0.86 MMP13 (0.82) MMP13NPC1
SCHEMBL8358426 0.83 HRH4 (0.63) MMP13CCR1
SCHEMBL14602299 0.81 MMP13 (0.72) MMP13NPC1
SCHEMBL1331786 0.80 NPC1 (0.64) NPC1
SCHEMBL6479481 0.79 MMP13 (0.71) MMP13
SCHEMBL8357429 0.79 MMP13 (0.71) MMP13CNR1
SCHEMBL8358824 0.78 MMP13 (0.64) MMP13

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
EP-1455790-B1 USE OF PYRIDINE-2,4-DICARBOXYLIC ACID DIAMIDES AND OF PYRIMIDINE-4,6-DICARBOXYLIC ACID DIAMIDES FOR SELECTIVE COLLAGENASE INHIBITION SANOFI AVENTIS DEUTSCHLAND (DE) 2008-03-26 EP disclosed
WO-2003049738-A1 USE OF PYRIDINE-2,4-DICARBOXYLIC ACID DIAMIDES AND OF PYRIMIDINE-4,6-DICARBOXYLIC ACID DIAMIDES FOR SELECTIVE COLLAGENASE INHIBITION AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-06-19 WO disclosed