SCHEMBL8071946

SCHEMBL8071946

COc1cc(CNC(=O)c2cc(-c3ncn(C[C@H]4CC[C@H](NC(=O)CO)CC4)n3)nc(C)n2)ccc1F

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 18/20 0.55
MMP3 P08254 1/20 0.38
MCHR1 Q99705 1/20 0.37

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
SCHEMBL3808479 0.94 MMP13 (0.56) MMP13MCHR1
SCHEMBL3808476 0.94 MMP13 (0.56) MMP13MCHR1
SCHEMBL8069457 0.93 MMP13 (0.54) MMP13
SCHEMBL3806700 0.92 MMP13 (0.51) MMP13
SCHEMBL8070663 0.90 MMP13 (0.53) MMP13MCHR1
SCHEMBL8068092 0.89 MMP13 (0.56) MMP13
SCHEMBL8074480 0.89 MMP13 (0.56) MMP13
SCHEMBL8067107 0.89 MMP13 (0.53) MMP13
SCHEMBL8068419 0.89 MMP13 (0.65) MMP13MMP3
SCHEMBL8065810 0.88 MMP13 (0.50) 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