SCHEMBL7759033

SCHEMBL7759033

NCCCCC(NC(=O)C(N)Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.57
ACE P12821 3/20 0.57
OPRK1 P41145 1/20 0.56
OPRD1 P41143 3/20 0.51
SLC6A2 P23975 1/20 0.51
NTSR2 O95665 1/20 0.49
NTSR1 P30989 1/20 0.49

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
SCHEMBL7759054 1.00 OPRM1 (0.57) OPRM1ACEOPRK1OPRD1SLC6A2
SCHEMBL30392298 0.91 OPRM1 (0.56) OPRM1OPRK1OPRD1SLC6A2
SCHEMBL29703184 0.90 OPRK1 (0.53) OPRM1ACEOPRK1OPRD1SLC6A2
SCHEMBL31114492 0.89 NTSR2 (0.60) OPRM1ACENTSR2NTSR1
SCHEMBL29721166 0.88 SLC6A2 (0.54) OPRM1ACESLC6A2
SCHEMBL29630683 0.87 OPRM1 (0.71) OPRM1OPRD1SLC6A2NTSR2NTSR1
SCHEMBL30881141 0.87 OPRM1 (0.58) OPRM1OPRD1SLC6A2NTSR2NTSR1
SCHEMBL31047703 0.87 OPRM1 (0.58) OPRM1OPRD1SLC6A2NTSR2NTSR1
SCHEMBL31039947 0.87 SLC6A2 (0.62) OPRM1ACEOPRD1SLC6A2
SCHEMBL30123533 0.87 SLC6A2 (0.62) OPRM1ACEOPRD1SLC6A2

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-2001068114-A1 NOVEL PEPTIDES WITH ANTI-HYPERTENSIVE ACTIVITY MONSANTO COMPANY (US) 2001-09-20 WO disclosed