SCHEMBL17743493

SCHEMBL17743493

COc1cccc(C2=CCN(C(=O)[C@H]3NCC4(CC4)CC3C(=O)NO)CC2)c1C

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADAM10 O14672 20/20 0.70
MMP2 P08253 17/20 0.70
MMP9 P14780 10/20 0.70
MMP3 P08254 5/20 0.70
MMP1 P03956 3/20 0.70
ERBB2 P04626 6/20 0.68

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
SCHEMBL1365127 0.86 ADAM10 (0.78) ADAM10MMP2MMP9MMP3MMP1
SCHEMBL1364303 0.86 ADAM10 (0.78) ADAM10MMP2MMP9MMP3MMP1
SCHEMBL1363621 0.84 ADAM10 (0.79) ADAM10MMP2MMP9MMP3MMP1
SCHEMBL1364163 0.84 ADAM10 (0.76) ADAM10MMP2MMP9MMP3MMP1
SCHEMBL1363774 0.84 ADAM10 (0.75) ADAM10MMP2MMP9MMP3MMP1
SCHEMBL1366743 0.84 ADAM10 (0.76) ADAM10MMP2MMP9MMP3MMP1
SCHEMBL1363752 0.84 ADAM10 (0.75) ADAM10MMP2MMP9MMP3MMP1
SCHEMBL1364086 0.83 ADAM10 (0.78) ADAM10MMP2MMP9MMP3MMP1
SCHEMBL1366594 0.83 ADAM10 (1.00) ADAM10MMP2MMP9MMP3MMP1
SCHEMBL1364799 0.83 ADAM10 (1.00) ADAM10MMP2MMP9MMP3MMP1

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-3020402-A1 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLPROTEASES Incyte Holdings Corporation (US) 2016-05-18 EP claimed