SCHEMBL8288105

SCHEMBL8288105

CC(C)(C)OC(=O)N(C[C@@H]1CCCN1C(=O)OCc1ccccc1)c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PREP P48147 3/20 0.42
LMNA P02545 2/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
KLK7 P49862 2/20 0.41
PARP1 P09874 1/20 0.41
POLB P06746 1/20 0.41
GRIN2B Q13224 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KLK5 Q9Y337 1/20 0.40

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
SCHEMBL34474623 0.83 PREP (0.47) PREPLMNATSHRL3MBTL1KDM4E
SCHEMBL30511005 0.83 PREP (0.47) PREPLMNATSHRL3MBTL1KDM4E
SCHEMBL5566433 0.81 ITGB1 (0.43) PARP1POLB
SCHEMBL30416618 0.77 KLK7 (0.48) PREPACE2KLK7PARP1
SCHEMBL27286074 0.76 POLB (0.52) LMNATSHRL3MBTL1POLBSMN1; SMN2
SCHEMBL30946916 0.76 POLB (0.52) LMNATSHRL3MBTL1POLBSMN1; SMN2
SCHEMBL30317557 0.76 SIGMAR1 (0.45) PREPLMNATSHRL3MBTL1KDM4E
SCHEMBL25762497 0.75 PREP (0.42) PREPLMNATSHRL3MBTL1KDM4E
SCHEMBL10060303 0.75 KLK7 (0.46) PREPACE2KLK7PARP1
SCHEMBL30511055 0.74 SIGMAR1 (0.50) KLK7PARP1

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
WO-2005090329-A9 NEW COMPOUNDS FOR THE INHIBITION OF ANGIOGENESIS AND USE OF THEREOF JERINI AG (DE) 2007-02-01 WO disclosed