SCHEMBL14780778

SCHEMBL14780778

O=C(O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1CCN2C(=O)OCc1ccccc1)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 1/20 0.47
ELANE P08246 2/20 0.46
AGTR2 P50052 1/20 0.45
PREP P48147 2/20 0.44
DPP4 P27487 1/20 0.44
KCNH2 Q12809 1/20 0.44
DPP7 Q9UHL4 1/20 0.44

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
SCHEMBL12299752 0.88 CTSL (0.57) ELANEPREP
SCHEMBL2440819 0.88 XIAP (0.49)
SCHEMBL2441255 0.88 CTSL (0.57) ELANEPREP
SCHEMBL12329404 0.88 XIAP (0.49)
SCHEMBL12299754 0.82 CTSL (0.42) CTRB1PREP
SCHEMBL2439989 0.82 CTSL (0.42) PREP
SCHEMBL2439991 0.82 CTSL (0.42) CTRB1PREP
SCHEMBL13049917 0.77 CTSL (0.51) ELANEAGTR2PREP
SCHEMBL13049342 0.76 CTSL (0.50) ELANE
SCHEMBL22798413 0.75 ACE (0.58) PREPDPP4KCNH2DPP7

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
US-8399683-B2 IAP inhibitors TETRALOGIC PHARMACEUTICALS (US) 2013-03-19 US disclosed