SCHEMBL8076563

SCHEMBL8076563

CCc1cccc(CNC(=O)c2cc(-c3nnn(C[C@H]4CC[C@H](C(N)=O)CC4)n3)cc(C)n2)c1

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 20/20 0.82
MMP3 P08254 1/20 0.68
SLC22A8 Q8TCC7 1/20 0.66

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
SCHEMBL8072705 0.93 MMP13 (0.86) MMP13SLC22A8
SCHEMBL3641552 0.93 MMP13 (0.86) MMP13SLC22A8
SCHEMBL3814024 0.91 MMP13 (0.74) MMP13MMP3
SCHEMBL3814027 0.91 MMP13 (0.74) MMP13MMP3
SCHEMBL8073339 0.91 MMP13 (0.86) MMP13MMP3
SCHEMBL3805120 0.90 MMP13 (1.00) MMP13MMP3
SCHEMBL3805115 0.90 MMP13 (1.00) MMP13MMP3
SCHEMBL8076571 0.87 MMP13 (0.87) MMP13SLC22A8
SCHEMBL3682537 0.86 MMP13 (0.86) MMP13MMP3SLC22A8
SCHEMBL3647640 0.86 MMP13 (0.86) MMP13MMP3SLC22A8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009016498-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC. (US) 2009-02-05 WO disclosed