SCHEMBL7757708

SCHEMBL7757708

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

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.55
ACE P12821 3/20 0.52
NTSR2 O95665 5/20 0.51
NTSR1 P30989 5/20 0.51

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
SCHEMBL7757715 1.00 OPRK1 (0.55) OPRK1ACENTSR2NTSR1
SCHEMBL30978863 0.92 OPRK1 (0.52) OPRK1ACENTSR2NTSR1
SCHEMBL5273015 0.92 OPRK1 (0.51) OPRK1ACENTSR2NTSR1
SCHEMBL5273011 0.92 OPRK1 (0.51) OPRK1ACENTSR2NTSR1
SCHEMBL29524168 0.92 OPRK1 (0.53) OPRK1ACENTSR2NTSR1
SCHEMBL30361726 0.90 ACE (0.57) OPRK1ACENTSR2NTSR1
SCHEMBL29409430 0.90 OPRK1 (0.55) OPRK1ACENTSR2NTSR1
SCHEMBL7758748 0.89 ACE (0.54) OPRK1ACE
SCHEMBL29801802 0.89 ACE (0.56) OPRK1ACE
SCHEMBL29802246 0.89 ACE (0.52) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001068113-A1 ANTI-HYPERTENSIVE PEPTIDES MONSANTO TECHNOLOGY LLC (US) 2001-09-20 WO disclosed