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SCHEMBL417517

SCHEMBL417517

CSCCC(NC(=O)C(CCCCN)NC(=O)C(N)CC(=O)O)C(=O)NC(CS)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.45
▸ APLNR P35414 2/20 0.45
▸ NTSR1 P30989 5/20 0.44
▸ NTSR2 O95665 3/20 0.44
▸ CALCR P30988 3/20 0.43
▸ CXCR4 P61073 1/20 0.43
▸ SORT1 Q99523 1/20 0.42

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
SCHEMBL417518 1.00 OPRM1 (0.45) OPRM1APLNRNTSR1NTSR2CALCR
SCHEMBL414730 0.95 NTSR2 (0.48) APLNRNTSR1NTSR2SORT1
SCHEMBL414731 0.95 NTSR2 (0.48) APLNRNTSR1NTSR2SORT1
SCHEMBL416637 0.94 NTSR2 (0.47) APLNRNTSR1NTSR2SORT1
SCHEMBL416638 0.94 NTSR2 (0.47) APLNRNTSR1NTSR2SORT1
SCHEMBL417341 0.93 OPRK1 (0.44) APLNRNTSR1NTSR2CALCRCXCR4
SCHEMBL417342 0.93 OPRK1 (0.44) APLNRNTSR1NTSR2CALCRCXCR4
SCHEMBL416858 0.89 NTSR2 (0.49) OPRM1NTSR1NTSR2SORT1
SCHEMBL416859 0.89 NTSR2 (0.49) OPRM1NTSR1NTSR2SORT1
SCHEMBL416569 0.88 OPRK1 (0.45) APLNRNTSR1NTSR2SORT1

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-20120020878-A1 FUSOGENIC PROPERTIES OF SAPOSIN C AND RELATED PROTEINS AND PEPTIDES FOR APPLICATION TO TRANSMEMBRANE DRUG DELIVERY SYSTEMS CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2012-01-26 — — US disclosed