SCHEMBL8255707

SCHEMBL8255707

Nc1ccc2c(c1)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(OC(F)(F)F)c2)nc2ncnn12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 5/20 0.47
ADAMTS4 O75173 2/20 0.47
MMP3 P08254 2/20 0.47
MMP8 P22894 1/20 0.38
MMP12 P39900 1/20 0.38
MBOAT4 Q96T53 4/20 0.36
TRPV1 Q8NER1 4/20 0.36
P2RX7 Q99572 3/20 0.35
PDE2A O00408 1/20 0.35
RIPK1 Q13546 1/20 0.35
KCNN4 O15554 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34

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
SCHEMBL10165783 0.90 MMP13 (0.46) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL14451096 0.87 MMP13 (0.45) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL8253193 0.86 MMP13 (0.43) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10166131 0.86 MMP13 (0.46) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL8247180 0.86 MMP13 (0.43) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL8255825 0.84 MMP13 (0.67) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL8256464 0.84 MMP13 (0.60) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161793 0.84 MMP13 (0.60) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL8254325 0.83 MMP13 (0.58) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL8253336 0.81 MMP13 (0.49) MMP13ADAMTS4MMP3MMP8MMP12

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-2006128184-A2 PYRIMIDINE OR TRIAZINE FUSED BICYCLIC METALLOPROTEASE INHIBITORS ALANTOS-PHARMACEUTICALS, INC. (US) 2006-11-30 WO disclosed