SCHEMBL328388

SCHEMBL328388

CN1CCN(CC(=O)N(C)CCN(CC(=O)NO)S(=O)(=O)c2cc(F)c(Oc3ccc(Cl)cc3)c(F)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 5/20 0.43
MMP1 P03956 6/20 0.42
MMP13 P45452 6/20 0.42
MMP9 P14780 6/20 0.42
ADAM17 P78536 3/20 0.42
MMP8 P22894 3/20 0.38
MMP7 P09237 2/20 0.38
MMP12 P39900 2/20 0.38
MEP1B Q16820 1/20 0.37
MMP2 P08253 3/20 0.37
BMP1 P13497 2/20 0.37
MMP14 P50281 1/20 0.36
MMP16 P51512 1/20 0.36
BDKRB1 P46663 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL328400 0.92 MMP3 (0.51) MMP3MMP1MMP13MMP9MMP8
SCHEMBL328401 0.91 ADRB2 (0.43) MMP3MMP1MMP13MMP8MMP7
SCHEMBL328560 0.87 MMP3 (0.44) MMP3MMP1MMP13MMP9ADAM17
SCHEMBL6864692 0.85 MMP3 (0.50) MMP3MMP1MMP13MMP9MMP8
SCHEMBL328411 0.85 MMP3 (0.40) MMP3MMP1MMP13MMP9ADAM17
SCHEMBL10067178 0.84 MMP3 (0.50) MMP3
SCHEMBL328412 0.83 MMP3 (0.37) MMP3MMP9MMP2
SCHEMBL6865124 0.83 MMP3 (0.40) MMP3MMP1MMP13MMP9ADAM17
SCHEMBL10067173 0.83 MMP3 (0.49) MMP3MMP1MMP13MMP9ADAM17
SCHEMBL328407 0.83 MMP1 (0.43) MMP3MMP1MMP13MMP9MMP8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2428509-A1 Human adam-10 inhibitors Symphony Evolution, Inc. (US) 2012-03-14 EP disclosed
WO-2011041545-A1 METHODS OF TREATING ANEURYSMAL DILATATION, BLOOD VESSEL WALL WEAKNESS AND SPECIFICALLY ABDOMINAL AORTIC AND THORACIC ANEURYSM USING MATRIX METALLOPROTEASE-2 INHIBITORS SYMPHONY EVOLUTION, INC. (US) 2011-04-07 WO disclosed
WO-2011011181-A1 PHARMACOLOGICAL CHAPERONES FOR THE TREATMENT OF ALZHEIMER'S DISEASE AMICUS THERAPEUTICS, INC. (US) 2011-01-27 WO disclosed