SCHEMBL3814112

SCHEMBL3814112

COC(=O)C1CCC(Cn2nnc(-c3cc(C)nc(C(=O)NCc4ccc(F)cc4)c3)n2)CC1

nearest known ligand 0.85

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 20/20 0.85
SLC22A8 Q8TCC7 1/20 0.85

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
SCHEMBL3814116 1.00 MMP13 (0.85) MMP13SLC22A8
SCHEMBL8070780 0.92 MMP13 (0.85) MMP13SLC22A8
SCHEMBL3648947 0.92 MMP13 (1.00) MMP13SLC22A8
SCHEMBL13150345 0.92 MMP13 (0.88) MMP13SLC22A8
SCHEMBL3805441 0.92 MMP13 (1.00) MMP13SLC22A8
SCHEMBL29673358 0.92 MMP13 (1.00) MMP13SLC22A8
SCHEMBL3806899 0.91 MMP13 (0.85) MMP13SLC22A8
SCHEMBL3806902 0.91 MMP13 (0.85) MMP13SLC22A8
SCHEMBL8068102 0.90 MMP13 (0.85) MMP13SLC22A8
SCHEMBL3803191 0.90 MMP13 (1.00) MMP13SLC22A8

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-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