SCHEMBL5155786

SCHEMBL5155786

Cc1ccccc1C(=O)Oc1cccc(C2(O)CCCCC2CN(C)C)c1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.66
SLC6A4 P31645 10/20 0.66
OPRM1 P35372 9/20 0.66
OPRD1 P41143 7/20 0.66
OPRK1 P41145 4/20 0.66
SLC22A1 O15245 3/20 0.66
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
CHRM2 P08172 1/20 0.66
CHRM1 P11229 1/20 0.66
HTR3A P46098 2/20 0.45
HTR4 Q13639 1/20 0.45

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
Isalmadol SCHEMBL5534029 0.90 SLC6A2 (0.66) SLC6A2SLC6A4OPRM1OPRD1OPRK1
Isalmadol SCHEMBL6437705 0.90 SLC6A2 (0.66) SLC6A2SLC6A4OPRM1OPRD1OPRK1
Isalmadol SCHEMBL29711375 0.90 SLC6A2 (0.66) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL7019410 0.87 SLC6A2 (0.62) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL5012494 0.87 SLC6A2 (0.62) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL29966428 0.86 SLC6A2 (0.63) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL15654221 0.86 SLC6A2 (0.63) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL20473750 0.86 SLC6A2 (0.63) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL159543 0.86 SLC6A2 (0.63) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL14964805 0.85 SLC6A2 (0.67) SLC6A2SLC6A4OPRM1OPRD1OPRK1

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-1742621-A2 AGENT-RELEASING SYSTEM COMPRISING AN AGENT-CONTAINING PATCH AND AT LEAST ONE MEANS REGULATING THE RELEASE OF AGENTS Grünenthal GmbH (DE) 2007-01-17 EP disclosed
WO-2005102270-A2 AGENT-RELEASING SYSTEM COMPRISING AN AGENT-CONTAINING PATCH AND AT LEAST ONE MEANS REGULATING THE RELEASE OF AGENTS Grünenthal GmbH (DE) 2005-11-03 WO disclosed