SCHEMBL417590

SCHEMBL417590

CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CS)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.50
F2R P25116 2/20 0.46
ACE P12821 5/20 0.46
NTSR2 O95665 5/20 0.45
NTSR1 P30989 5/20 0.45
KDM4E B2RXH2 1/20 0.43
F2 P00734 1/20 0.43
REN P00797 1/20 0.43
LMNA P02545 1/20 0.43
LTA4H P09960 1/20 0.43
MAPT P10636 1/20 0.43
PEPD P12955 1/20 0.43
ALOX15 P16050 1/20 0.43
PTGS1 P23219 1/20 0.43
HTR2A P28223 1/20 0.43
PTGS2 P35354 1/20 0.43
HRH1 P35367 1/20 0.43
THPO P40225 1/20 0.43
PMP22 Q01453 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL417589 1.00 OPRK1 (0.50) OPRK1F2RACENTSR2NTSR1
SCHEMBL416859 0.92 NTSR2 (0.49) F2RNTSR2NTSR1F2
SCHEMBL416858 0.92 NTSR2 (0.49) F2RNTSR2NTSR1F2
SCHEMBL416536 0.91 OPRK1 (0.46) OPRK1F2RACENTSR2NTSR1
SCHEMBL416535 0.91 OPRK1 (0.46) OPRK1F2RACENTSR2NTSR1
SCHEMBL416569 0.90 OPRK1 (0.45) OPRK1F2RACENTSR2NTSR1
SCHEMBL416570 0.90 OPRK1 (0.45) OPRK1F2RACENTSR2NTSR1
SCHEMBL417341 0.88 OPRK1 (0.44) OPRK1F2RACENTSR2NTSR1
SCHEMBL417342 0.88 OPRK1 (0.44) OPRK1F2RACENTSR2NTSR1
SCHEMBL29524168 0.87 OPRK1 (0.53) OPRK1ACENTSR2NTSR1

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