SCHEMBL3812839

SCHEMBL3812839

CC(C)C[C@H](NC(=O)[C@@H]1CCCCN1C(=O)[C@@H](N)Cc1ccccc1)C(N)=O

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.62
OPRD1 P41143 3/20 0.62
OPRK1 P41145 2/20 0.62

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
SCHEMBL29944964 0.90 OPRM1 (0.61) OPRM1OPRD1OPRK1
Acetic Acid SCHEMBL11289266 0.88 OPRM1 (0.69) OPRM1OPRD1OPRK1
SCHEMBL30157193 0.88 OPRM1 (0.73) OPRM1OPRD1OPRK1
SCHEMBL3817152 0.88 OPRM1 (0.61) OPRM1OPRD1OPRK1
SCHEMBL11289268 0.86 OPRM1 (0.66) OPRM1OPRD1OPRK1
SCHEMBL29710134 0.84 SLC6A2 (0.59) OPRM1OPRD1OPRK1
SCHEMBL38658663 0.83 OPRM1 (0.78) OPRM1OPRD1OPRK1
SCHEMBL13594465 0.83 PSMB9 (0.54) OPRM1OPRD1OPRK1
SCHEMBL3635117 0.83 OPRM1 (0.67) OPRM1OPRD1OPRK1
SCHEMBL14401583 0.83 OPRM1 (0.53) OPRM1OPRD1OPRK1

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
EP-2086993-A1 MICHAEL SYSTEMS AS TRANSGLUTAMINASE INHIBITORS Zedira GmbH (DE) 2009-08-12 EP claimed
WO-2008055488-A1 MICHAEL SYSTEMS AS TRANSGLUTAMINASE INHIBITORS ZEDIRA GMBH (DE) 2008-05-15 WO claimed
EP-2086993-A1 MICHAEL SYSTEMS AS TRANSGLUTAMINASE INHIBITORS Zedira GmbH (DE) 2009-08-12 EP disclosed
WO-2008055488-A1 MICHAEL SYSTEMS AS TRANSGLUTAMINASE INHIBITORS ZEDIRA GMBH (DE) 2008-05-15 WO disclosed