SCHEMBL4534061

SCHEMBL4534061

CCOC(=O)C1(c2ccccc2NC)CC=CCC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.42
OPRD1 P41143 5/20 0.41
OPRK1 P41145 5/20 0.41
SLC22A1 O15245 2/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
KCNH2 Q12809 1/20 0.41
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL1428238 0.68 OPRM1 (0.44) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL29407740 0.68 OPRM1 (0.34) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL28936359 0.68 OPRM1 (0.36) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL6362 0.67 OPRM1 (0.52) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL13755065 0.66 SLC22A1 (0.39) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL4114518 0.66 MAPT (0.40) LMNAMAPTSMN1; SMN2
SCHEMBL23225663 0.66 OPRM1 (0.75) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL6660823 0.66 OPRM1 (0.75) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL20790150 0.65 OPRM1 (0.50) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL472143 0.65 BRD4 (0.39) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2637649-A2 COMPOUNDS AND METHODS FOR TREATING PAIN Akron Molecules GmbH (AT) 2013-09-18 EP disclosed
WO-2012062925-A2 COMPOUNDS AND METHODS FOR TREATING PAIN AKRON MOLECULES GMBH (AT) 2012-05-18 WO disclosed