SCHEMBL14959541

SCHEMBL14959541

CNC(=O)[C@H]1CN(C(=O)OCCN2CCCC2)CCN1S(=O)(=O)c1cc(F)c(Oc2ccc(Cl)cc2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 11/20 0.43
MMP13 P45452 11/20 0.43
MMP9 P14780 10/20 0.43
MMP3 P08254 9/20 0.43
MMP7 P09237 9/20 0.43
HCRTR1 O43613 2/20 0.38
HCRTR2 O43614 2/20 0.38
ADAM17 P78536 1/20 0.38
KMT2A Q03164 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL328419 0.93 MMP1 (0.49) MMP1MMP13MMP9MMP3MMP7
SCHEMBL778844 0.92 MMP1 (0.48) MMP1MMP13MMP9MMP3MMP7
SCHEMBL14878449 0.90 MMP1 (0.38) MMP1MMP13MMP9MMP3MMP7
SCHEMBL14878475 0.89 MMP1 (0.37) MMP1MMP13MMP9MMP3MMP7
SCHEMBL12905399 0.88 MMP1 (0.37) MMP1MMP13MMP9MMP3MMP7
SCHEMBL12905413 0.88 MMP1 (0.36) MMP1MMP13MMP9MMP3MMP7
SCHEMBL918708 0.83 MMP1 (0.54) MMP1MMP13MMP9MMP3MMP7
SCHEMBL328472 0.83 MMP1 (0.54) MMP1MMP13MMP9MMP3MMP7
SCHEMBL919122 0.83 MMP1 (0.53) MMP1MMP13MMP9MMP3MMP7
SCHEMBL919124 0.83 MMP1 (0.53) MMP1MMP13MMP9MMP3MMP7

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
EP-1511488-B1 HUMAN ADAM-10 INHIBITORS SYMPHONY EVOLUTION INC (US) 2013-05-22 EP disclosed