SCHEMBL7425475

SCHEMBL7425475

COC(OC)N(CCc1ccsc1)[C@@H](CC(C)C)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
LNPEP Q9UIQ6 1/20 0.37
OPRM1 P35372 4/20 0.36
OPRD1 P41143 4/20 0.36
TAAR1 Q96RJ0 1/20 0.36
SLC1A3 P43003 2/20 0.35
SLC1A2 P43004 2/20 0.35
SLC1A1 P43005 2/20 0.35
ALOX5 P09917 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
OPRK1 P41145 3/20 0.33
LTA4H P09960 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD11B1 P28845 1/20 0.32
GRM2 Q14416 1/20 0.32
GRM3 Q14832 1/20 0.32
DPP4 P27487 1/20 0.32

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
SCHEMBL7425482 0.79 DRD2 (0.38) DRD2DRD3LNPEPOPRM1OPRD1
SCHEMBL27790946 0.70 TAAR1 (0.48) DRD2DRD3OPRM1OPRD1TAAR1
SCHEMBL5870039 0.68 DRD2 (0.42) DRD2DRD3LNPEPOPRM1OPRD1
SCHEMBL9372981 0.67 ALOX5 (0.49) DRD2DRD3TAAR1SLC1A3SLC1A2
SCHEMBL8397600 0.67 TAS1R3 (0.40) OPRM1OPRD1SLC1A3SLC1A2SLC1A1
SCHEMBL934545 0.66 MME (0.48) OPRM1OPRD1TAAR1SLC1A3SLC1A2
SCHEMBL4461408 0.63 OPRM1 (0.49) DRD2DRD3OPRM1OPRD1TAAR1
SCHEMBL20809649 0.63 OPRM1 (0.48) DRD2DRD3LNPEPOPRM1OPRD1
SCHEMBL28128853 0.63 DRD2 (0.51) DRD2DRD3OPRM1OPRD1TAAR1
SCHEMBL2102408 0.62 TAAR1 (0.55) DRD2DRD3OPRM1OPRD1TAAR1

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
EP-0941233-A2 ANTIVIRAL PEPTIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-09-15 EP disclosed
WO-1998022496-A2 ANTIVIRAL PEPTIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1998-05-28 WO disclosed