SCHEMBL7354732

SCHEMBL7354732

CC(C(=O)NO)N1CC[C@@](NC(=O)Nc2ccncc2)(c2ccc(OCc3cc(Cl)nc(Cl)c3)cc2)C1=O

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 13/20 0.60
MMP2 P08253 10/20 0.54
MMP9 P14780 10/20 0.54
MMP1 P03956 7/20 0.54
MMP3 P08254 3/20 0.47
MMP7 P09237 2/20 0.47
MMP8 P22894 2/20 0.47
MMP13 P45452 2/20 0.47
MMP14 P50281 2/20 0.47
MMP15 P51511 1/20 0.47
MMP16 P51512 1/20 0.47
ADAM33 Q9BZ11 1/20 0.47
ADAM10 O14672 1/20 0.38

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
SCHEMBL7472135 0.93 ADAM17 (0.58) ADAM17MMP2MMP9MMP1MMP3
SCHEMBL7421348 0.90 ADAM17 (0.61) ADAM17MMP2MMP9MMP1MMP3
SCHEMBL7421345 0.90 ADAM17 (0.61) ADAM17MMP2MMP9MMP1MMP3
SCHEMBL7362674 0.90 MMP2 (0.53) ADAM17MMP2MMP9MMP1MMP3
SCHEMBL7469593 0.88 ADAM17 (0.51) ADAM17MMP2MMP9MMP1MMP3
SCHEMBL6630275 0.84 MMP2 (0.52) ADAM17MMP2MMP9MMP1MMP3
SCHEMBL6628825 0.84 MMP2 (0.57) ADAM17MMP2MMP9MMP1MMP3
SCHEMBL7361032 0.83 MMP2 (0.54) ADAM17MMP2MMP9MMP1MMP3
SCHEMBL7350488 0.83 MMP2 (0.50) ADAM17MMP2MMP9MMP1MMP3
SCHEMBL6628534 0.82 MMP2 (0.55) ADAM17MMP2MMP9MMP1MMP3

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-1027332-A1 NOVEL LACTAM METALLOPROTEASE INHIBITORS Du Pont Pharmaceuticals Company (US) 2000-08-16 EP disclosed
WO-1999018074-A1 NOVEL LACTAM METALLOPROTEASE INHIBITORS Britol-Myers Squibb Pharma Company (US) 1999-04-15 WO disclosed