SCHEMBL5863304

SCHEMBL5863304

N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1CCC[C@H]1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 2/20 0.41
DPP4 P27487 8/20 0.41
OPRM1 P35372 6/20 0.40
OPRK1 P41145 6/20 0.40
NTMT1 Q9BV86 1/20 0.39
APLNR P35414 1/20 0.38

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
SCHEMBL31124688 0.95 OPRM1 (0.41) EPHA2OPRM1OPRK1NTMT1
SCHEMBL10340262 0.93 ACE (0.42) EPHA2OPRM1OPRK1NTMT1APLNR
SCHEMBL4190057 0.93 ACE (0.42) EPHA2OPRM1OPRK1NTMT1APLNR
SCHEMBL4190053 0.93 ACE (0.42) EPHA2OPRM1OPRK1NTMT1APLNR
SCHEMBL27445701 0.93 ACE (0.42) EPHA2OPRM1OPRK1NTMT1APLNR
SCHEMBL7444428 0.93 ACE (0.42) EPHA2OPRM1OPRK1NTMT1APLNR
SCHEMBL31124690 0.92 OPRM1 (0.43) EPHA2OPRM1OPRK1
SCHEMBL7853147 0.91 DPP4 (0.41) DPP4OPRM1OPRK1NTMT1
SCHEMBL15524993 0.91 DPP4 (0.41) DPP4OPRM1OPRK1NTMT1
SCHEMBL9577364 0.91 DPP4 (0.41) DPP4OPRM1OPRK1NTMT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7045585-B2 Methods of coating a device using anti-thrombin heparin HAMILTON CIVIC HOSPITAL RESEARCH DEVELOPMENT INC. (CA) 2006-05-16 US disclosed
US-20030124705-A1 Glycosaminoglycan-antithrombin III/heparin cofactor II conjugates MCMASTER UNIVERSITY (CA) 2003-07-03 US disclosed