SCHEMBL8302857

SCHEMBL8302857

CCOC(=O)C1(C(=O)OCC)CCN(c2ccccc2)C(=O)C1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.47
OPRD1 P41143 6/20 0.47
OPRK1 P41145 6/20 0.47
SLC22A1 O15245 1/20 0.47
SLC6A4 P31645 1/20 0.47
ADRA1A P35348 1/20 0.47
KCNH2 Q12809 1/20 0.47
NPC1 O15118 1/20 0.46
GAA P10253 2/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL8420296 0.80 NPC1 (0.44) NPC1GAAALDH1A1
SCHEMBL15374437 0.77 METAP2 (0.57) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL15374431 0.77 METAP2 (0.57) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL15367166 0.77 METAP2 (0.57) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL15374447 0.76 OPRM1 (0.47) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL15374434 0.76 OPRM1 (0.47) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL15367076 0.76 OPRM1 (0.47) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL15325173 0.73 METAP2 (0.49) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL10626049 0.73 METAP2 (0.44) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL11070123 0.72 GAA (0.46) OPRM1OPRD1OPRK1SLC22A1SLC6A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5965578-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-10-12 US disclosed
EP-0897303-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-02-24 EP disclosed
EP-0897303-A4 1999-02-24 EP disclosed
WO-1997036605-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO disclosed