SCHEMBL416858

SCHEMBL416858

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

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NTSR2 O95665 9/20 0.49
NTSR1 P30989 9/20 0.49
F2 P00734 1/20 0.47
CAPN1 P07384 2/20 0.47
SORT1 Q99523 3/20 0.47
OPRM1 P35372 2/20 0.47
GRB2 P62993 1/20 0.47
F2R P25116 2/20 0.46
OPRD1 P41143 1/20 0.45

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
SCHEMBL416859 1.00 NTSR2 (0.49) NTSR2NTSR1F2CAPN1SORT1
SCHEMBL413759 0.93 NTSR2 (0.52) NTSR2NTSR1F2CAPN1SORT1
SCHEMBL413760 0.93 NTSR2 (0.52) NTSR2NTSR1F2CAPN1SORT1
SCHEMBL417589 0.92 OPRK1 (0.50) NTSR2NTSR1F2F2R
SCHEMBL417590 0.92 OPRK1 (0.50) NTSR2NTSR1F2F2R
SCHEMBL416638 0.91 NTSR2 (0.47) NTSR2NTSR1CAPN1SORT1
SCHEMBL416637 0.91 NTSR2 (0.47) NTSR2NTSR1CAPN1SORT1
SCHEMBL32681278 0.91 NTSR2 (0.52) NTSR2NTSR1F2CAPN1SORT1
SCHEMBL414730 0.90 NTSR2 (0.48) NTSR2NTSR1SORT1
SCHEMBL414731 0.90 NTSR2 (0.48) NTSR2NTSR1SORT1

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-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 claimed
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