SCHEMBL8586979

SCHEMBL8586979

N=C(N)NCCCC(NC(=O)C1CCCN1C(=O)[C@H](N)Cc1ccccc1)C(=O)C(Cl)C=O

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.49
OPRD1 P41143 4/20 0.49
OPRK1 P41145 2/20 0.49
F2 P00734 2/20 0.47
NPFFR1 Q9GZQ6 2/20 0.47
NPFFR2 Q9Y5X5 2/20 0.47

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
SCHEMBL2849826 1.00 OPRM1 (0.49) OPRM1OPRD1OPRK1F2NPFFR1
SCHEMBL4940699 1.00 OPRM1 (0.49) OPRM1OPRD1OPRK1F2NPFFR1
SCHEMBL4709438 1.00 OPRM1 (0.49) OPRM1OPRD1OPRK1F2NPFFR1
SCHEMBL5056855 0.91 OPRM1 (0.51) OPRM1OPRD1OPRK1F2NPFFR1
SCHEMBL4016026 0.91 OPRM1 (0.51) OPRM1OPRD1OPRK1F2NPFFR1
SCHEMBL23256152 0.91 OPRM1 (0.51) OPRM1OPRD1OPRK1F2NPFFR1
SCHEMBL1664759 0.91 OPRM1 (0.51) OPRM1OPRD1OPRK1F2NPFFR1
SCHEMBL4198227 0.91 OPRM1 (0.51) OPRM1OPRD1OPRK1F2NPFFR1
Hydrochloric Acid SCHEMBL6681663 0.91 OPRM1 (0.50) OPRM1OPRD1OPRK1F2NPFFR1
SCHEMBL6497247 0.89 F2 (0.57) OPRM1OPRD1OPRK1F2NPFFR1

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
EP-0818744-A2 Process for selecting candidate drug compounds Proteus Molecular Design Limited (GB) 1998-01-14 EP disclosed