SCHEMBL5035226

SCHEMBL5035226

CCCc1ccc(C2=CCNC(C(=O)[C@H]3NCC4(CC4)C[C@@H]3C(=O)NO)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADAM10 O14672 20/20 0.47
MMP2 P08253 18/20 0.47
MMP9 P14780 10/20 0.47
ERBB2 P04626 8/20 0.46
MMP3 P08254 5/20 0.46
MMP1 P03956 3/20 0.46

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
SCHEMBL5038430 0.93 ADAM10 (0.52) ADAM10MMP2MMP9ERBB2MMP3
SCHEMBL5039365 0.93 ADAM10 (0.52) ADAM10MMP2MMP9ERBB2MMP3
SCHEMBL6023831 0.86 ADAM10 (0.61) ADAM10MMP2MMP9ERBB2MMP3
SCHEMBL5042986 0.84 ADAM10 (0.64) ADAM10MMP2MMP9ERBB2MMP3
SCHEMBL5044734 0.82 ADAM10 (0.61) ADAM10MMP2MMP9ERBB2MMP3
SCHEMBL5039619 0.82 ADAM10 (0.61) ADAM10MMP2MMP9ERBB2MMP3
SCHEMBL5039345 0.81 ADAM10 (0.51) ADAM10MMP2MMP9ERBB2MMP3
SCHEMBL5039081 0.81 ADAM10 (0.51) ADAM10MMP2MMP9ERBB2MMP3
SCHEMBL5042911 0.81 ADAM10 (0.63) ADAM10MMP2MMP9ERBB2MMP3
SCHEMBL5038844 0.81 ADAM10 (0.60) ADAM10MMP2MMP9ERBB2MMP3

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-1622569-A4 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLPROTEASES INCYTE CORP (US) 2008-08-27 EP disclosed
EP-1622569-A2 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLPROTEASES Incyte Corporation (US) 2006-02-08 EP disclosed
WO-2004096139-A2 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLOPROTEASES INCYTE CORPORATION (US) 2004-11-11 WO disclosed