SCHEMBL328411

SCHEMBL328411

CN1CCC(OC(=O)N(C)CCN(CC(=O)NO)S(=O)(=O)c2cc(F)c(Oc3ccc(Cl)cc3)c(F)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 6/20 0.40
MMP1 P03956 6/20 0.39
MMP13 P45452 6/20 0.39
MMP9 P14780 4/20 0.39
ADAM17 P78536 3/20 0.39
MEP1B Q16820 1/20 0.38
MMP8 P22894 3/20 0.37
MMP7 P09237 2/20 0.37
MMP12 P39900 2/20 0.37
MMP2 P08253 1/20 0.37
MMP14 P50281 1/20 0.37
MMP16 P51512 1/20 0.37
BMP1 P13497 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR2C P28335 2/20 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
SCHEMBL6852592 0.91 CHRM5 (0.35) MMP1MMP13MMP9ADAM17MMP2
SCHEMBL328388 0.85 MMP3 (0.43) MMP3MMP1MMP13MMP9ADAM17
SCHEMBL10067173 0.83 MMP3 (0.49) MMP3MMP1MMP13MMP9ADAM17
SCHEMBL328413 0.83 MMP3 (0.51) MMP3MMP1MMP13MMP9ADAM17
SCHEMBL6865083 0.82 MMP1 (0.48) MMP3MMP1MMP13MMP9MEP1B
SCHEMBL6864863 0.81 MMP2 (0.45) MMP3MMP1MMP13MMP9ADAM17
SCHEMBL328404 0.81 BMP1 (0.43) MMP3MMP1MMP13MMP9MEP1B
SCHEMBL10067178 0.81 MMP3 (0.50) MMP3
SCHEMBL328560 0.81 MMP3 (0.44) MMP3MMP1MMP13MMP9ADAM17
SCHEMBL328554 0.81 MMP3 (0.48) MMP3MMP1MMP13MMP9MEP1B

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-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