SCHEMBL8074989

SCHEMBL8074989

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

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 20/20 0.82
MMP3 P08254 1/20 0.70

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
SCHEMBL8065700 0.92 MMP13 (0.87) MMP13MMP3
SCHEMBL8073650 0.90 MMP13 (0.86) MMP13MMP3
SCHEMBL3814257 0.90 MMP13 (1.00) MMP13MMP3
SCHEMBL8056911 0.90 MMP13 (1.00) MMP13MMP3
SCHEMBL8059418 0.90 MMP13 (0.82) MMP13MMP3
SCHEMBL3682537 0.90 MMP13 (0.86) MMP13MMP3
SCHEMBL3647640 0.90 MMP13 (0.86) MMP13MMP3
SCHEMBL3806970 0.89 MMP13 (0.86) MMP13MMP3
SCHEMBL3806969 0.89 MMP13 (0.86) MMP13MMP3
SCHEMBL8071684 0.88 MMP13 (0.75) 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 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