SCHEMBL2528036

SCHEMBL2528036

CCC1CC12C[C@H](C(=O)NO)[C@@H](C(=O)N1CCN(c3ccccc3)CC1)N(C(=O)O)C2

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADAM10 O14672 20/20 0.60
MMP2 P08253 19/20 0.60
ERBB2 P04626 17/20 0.60
MMP9 P14780 12/20 0.55
MMP3 P08254 7/20 0.52

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
SCHEMBL1367687 0.88 ADAM10 (0.58) ADAM10MMP2ERBB2MMP9MMP3
SCHEMBL209094 0.88 ADAM10 (0.64) ADAM10MMP2ERBB2MMP9MMP3
SCHEMBL1366806 0.85 ADAM10 (0.60) ADAM10MMP2ERBB2MMP9MMP3
SCHEMBL1364457 0.83 ADAM10 (0.61) ADAM10MMP2ERBB2MMP9MMP3
SCHEMBL1364256 0.83 ADAM10 (0.61) ADAM10MMP2ERBB2MMP9MMP3
SCHEMBL4638822 0.82 ADAM10 (0.79) ADAM10MMP2ERBB2MMP9MMP3
SCHEMBL3648643 0.82 ADAM10 (0.79) ADAM10MMP2ERBB2MMP9MMP3
SCHEMBL1366014 0.82 ADAM10 (0.62) ADAM10MMP2ERBB2MMP9MMP3
SCHEMBL1364063 0.81 ADAM10 (0.59) ADAM10MMP2ERBB2MMP9MMP3
SCHEMBL1365531 0.81 ADAM10 (0.59) ADAM10MMP2ERBB2MMP9MMP3

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
US-8039471-B2 Aza spiro alkane derivatives as inhibitors of metalloproteases INCYTE CORPORATION (US) 2011-10-18 US disclosed