SCHEMBL3808565

SCHEMBL3808565

COC(=O)[C@H]1CC[C@H](Cn2nnc(-c3cc(C)nc(C(=O)NCc4cccc(O)c4)c3)n2)CC1

nearest known ligand 0.85

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 20/20 0.85
MMP3 P08254 2/20 0.72

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
SCHEMBL3808563 1.00 MMP13 (0.85) MMP13MMP3
SCHEMBL3808595 0.92 MMP13 (0.74) MMP13MMP3
SCHEMBL3814027 0.92 MMP13 (0.74) MMP13MMP3
SCHEMBL3814024 0.92 MMP13 (0.74) MMP13MMP3
SCHEMBL3808598 0.92 MMP13 (0.74) MMP13MMP3
SCHEMBL8066107 0.92 MMP13 (1.00) MMP13
SCHEMBL3649617 0.92 MMP13 (1.00) MMP13
SCHEMBL3750057 0.92 MMP13 (0.88) MMP13MMP3
SCHEMBL3750060 0.92 MMP13 (0.88) MMP13MMP3
SCHEMBL8066180 0.90 MMP13 (0.86) MMP13MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2185537-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS Pfizer Inc. (US) 2010-05-19 EP disclosed
WO-2009016498-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC. (US) 2009-02-05 WO disclosed
WO-2009016498-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC. (US) 2009-02-05 WO disclosed