SCHEMBL6611580

SCHEMBL6611580

CCN(CC)C(=O)c1ccc(N(c2ccccc2)C2CCN(Cc3ccccn3)CC2O)cc1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 8/20 0.56
OPRD1 P41143 6/20 0.56
OPRM1 P35372 5/20 0.56

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
SCHEMBL6612987 0.86 OPRK1 (0.57) OPRK1OPRD1OPRM1
SCHEMBL6615177 0.85 OPRK1 (0.57) OPRK1OPRD1OPRM1
SCHEMBL6613470 0.81 OPRK1 (0.57) OPRK1OPRD1OPRM1
SCHEMBL6337137 0.79 OPRD1 (0.84) OPRK1OPRD1OPRM1
SCHEMBL5495190 0.77 OPRD1 (0.77) OPRK1OPRD1OPRM1
SCHEMBL5879393 0.74 OPRD1 (0.59) OPRK1OPRD1OPRM1
SCHEMBL6870724 0.74 OPRD1 (0.77) OPRK1OPRD1OPRM1
SCHEMBL5879387 0.73 OPRD1 (0.59) OPRK1OPRD1OPRM1
SCHEMBL5879389 0.73 OPRD1 (0.66) OPRK1OPRD1OPRM1
SCHEMBL5879337 0.72 OPRD1 (0.62) OPRK1OPRD1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242406-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2004-03-17 EP disclosed