SCHEMBL7401517

SCHEMBL7401517

CCOC(=O)C1(c2ccccc2)CNC(=O)O1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.49
OPRD1 P41143 5/20 0.45
OPRK1 P41145 5/20 0.45
SLC22A1 O15245 1/20 0.45
SLC6A4 P31645 1/20 0.45
ADRA1A P35348 1/20 0.45
KCNH2 Q12809 1/20 0.45
BRD4 O60885 1/20 0.43
GLA P06280 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
ATM Q13315 1/20 0.40

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
SCHEMBL980214 0.78 OPRM1 (0.54) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL27282514 0.73 GLA (0.53) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL7384877 0.72 OPRM1 (0.51) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL835869 0.72 OPRM1 (0.57) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL830705 0.72 OPRM1 (0.57) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL6558542 0.72 OPRM1 (0.45) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL11303680 0.71 OPRM1 (0.47) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL30151892 0.69 OPRM1 (0.40) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL8115016 0.69 OPRM1 (0.54) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL13209245 0.69 POLB (0.49) OPRM1SLC6A4BRD4POLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5219886-A Cardiovascular disorders, analgesics, enzyme inhibitors SCHERING CORPORATION (US) 1993-06-15 US disclosed
EP-0393441-B1 MERCAPTO-ACYLAMINO ACIDS SCHERING CORPORATION (US) 1993-05-26 EP disclosed
EP-0467957-A1 MERCAPTO-ACYLAMINO ACIDS SCHERING CORPORATION (US) 1992-01-29 EP disclosed
EP-0393441-A1 Mercapto-acylamino acids SCHERING CORPORATION (US) 1990-10-24 EP disclosed
WO-1990012003-A1 MERCAPTO-ACYLAMINO ACIDS SCHERING CORPORATION (US) 1990-10-18 WO disclosed