SCHEMBL7425482

SCHEMBL7425482

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38
LNPEP Q9UIQ6 1/20 0.38
SLC1A3 P43003 2/20 0.36
SLC1A2 P43004 2/20 0.36
SLC1A1 P43005 2/20 0.36
OPRM1 P35372 5/20 0.35
OPRD1 P41143 5/20 0.35
TAAR1 Q96RJ0 1/20 0.34
OPRK1 P41145 4/20 0.34
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
SHMT2 P34897 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
LTA4H P09960 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL7425475 0.79 DRD2 (0.40) DRD2DRD3LNPEPSLC1A3SLC1A2
SCHEMBL8397602 0.67 MME (0.42) SLC1A3SLC1A2SLC1A1OPRM1OPRD1
SCHEMBL5870039 0.67 DRD2 (0.42) DRD2DRD3LNPEPSLC1A3SLC1A2
SCHEMBL9372981 0.65 ALOX5 (0.49) DRD2DRD3SLC1A3SLC1A2SLC1A1
SCHEMBL5222079 0.63 SLC1A3 (0.47) SLC1A3SLC1A2SLC1A1TDP1ALDH1A1
SCHEMBL22775723 0.63 SLC1A3 (0.47) SLC1A3SLC1A2SLC1A1TDP1ALDH1A1
SCHEMBL5692348 0.63 SLC1A3 (0.47) SLC1A3SLC1A2SLC1A1TDP1ALDH1A1
SCHEMBL17152628 0.63 AOC3 (0.49) TAAR1
SCHEMBL30799628 0.63 MME (0.52) LTA4H
SCHEMBL21548477 0.62 SLC1A3 (0.56) SLC1A3SLC1A2SLC1A1TAAR1

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