SCHEMBL5035568

SCHEMBL5035568

CN1CC2(CC2)CC(C(=O)NO)C1C(=O)C1CC(c2ccc3c(c2)CCO3)=CCN1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM10 O14672 15/20 0.44
MMP2 P08253 15/20 0.44
ERBB2 P04626 5/20 0.44
MMP9 P14780 10/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MMP3 P08254 6/20 0.36
MMP12 P39900 2/20 0.36
MMP14 P50281 2/20 0.36
ADAM17 P78536 2/20 0.36
ADAM33 Q9BZ11 2/20 0.36
ADAM8 P78325 1/20 0.36
MMP1 P03956 4/20 0.36
MMP7 P09237 1/20 0.35
MMP8 P22894 1/20 0.35
ADAM9 Q13443 1/20 0.35
NTRK1 P04629 1/20 0.34

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
SCHEMBL4537261 0.84 ADAM10 (0.60) ADAM10MMP2ERBB2MMP9MMP3
SCHEMBL4530938 0.84 ADAM10 (0.60) ADAM10MMP2ERBB2MMP9MMP3
SCHEMBL5038740 0.82 ADAM10 (0.49) ADAM10MMP2ERBB2MMP9MMP3
SCHEMBL5045388 0.82 ADAM10 (0.49) ADAM10MMP2ERBB2MMP9MMP3
SCHEMBL5038352 0.81 ADAM10 (0.47) ADAM10MMP2ERBB2MMP9MMP3
SCHEMBL17743489 0.81 ADAM10 (0.47) ADAM10MMP2ERBB2MMP9MMP3
SCHEMBL1365344 0.80 ADAM10 (0.71) ADAM10MMP2ERBB2MMP9MMP3
SCHEMBL5035330 0.80 ADAM10 (0.53) ADAM10MMP2ERBB2MMP9MMP3
SCHEMBL5038031 0.79 ADAM10 (0.42) ADAM10MMP2ERBB2MMP9MMP3
SCHEMBL5037490 0.77 ADAM10 (0.52) 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 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 claimed
EP-1622569-A2 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLPROTEASES Incyte Corporation (US) 2006-02-08 EP claimed
WO-2004096139-A2 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLOPROTEASES INCYTE CORPORATION (US) 2004-11-11 WO claimed