SCHEMBL5037529

SCHEMBL5037529

O=C(NO)[C@H]1CC2(CC2)CN[C@@H]1C(=O)C1CC(c2cccc(OC(F)(F)F)c2)=CCN1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADAM10 O14672 19/20 0.51
MMP2 P08253 17/20 0.51
MMP9 P14780 10/20 0.51
MMP3 P08254 5/20 0.46
MMP1 P03956 3/20 0.46
ERBB2 P04626 5/20 0.45

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
SCHEMBL5039388 1.00 ADAM10 (0.51) ADAM10MMP2MMP9MMP3MMP1
SCHEMBL5039649 0.89 ADAM10 (0.64) ADAM10MMP2MMP9MMP3MMP1
SCHEMBL6023831 0.84 ADAM10 (0.61) ADAM10MMP2MMP9MMP3MMP1
SCHEMBL5035155 0.83 ADAM10 (0.63) ADAM10MMP2MMP9MMP3MMP1
SCHEMBL17743488 0.83 ADAM10 (0.49) ADAM10MMP2MMP9MMP3MMP1
SCHEMBL5044862 0.83 ADAM10 (0.49) ADAM10MMP2MMP9MMP3MMP1
SCHEMBL5040167 0.82 ADAM10 (0.50) ADAM10MMP2MMP9MMP3MMP1
SCHEMBL5038238 0.82 ADAM10 (0.64) ADAM10MMP2MMP9MMP3MMP1
SCHEMBL4537465 0.82 ADAM10 (0.49) ADAM10MMP2MMP9MMP3MMP1
SCHEMBL5044852 0.81 ADAM10 (0.61) 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 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