SCHEMBL29965897

SCHEMBL29965897

COc1ccc(C(=O)Oc2cccc(C3(O)CCCCC3CN(C)C)c2)c(O)c1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 13/20 0.73
SLC6A4 P31645 13/20 0.73
OPRM1 P35372 12/20 0.73
OPRD1 P41143 4/20 0.73
SLC22A1 O15245 3/20 0.73
OPRK1 P41145 3/20 0.73
MEN1 O00255 2/20 0.73
KMT2A Q03164 2/20 0.73
CHRM2 P08172 1/20 0.73
CHRM1 P11229 1/20 0.73
HTR3A P46098 2/20 0.50
HTR4 Q13639 1/20 0.50

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
SCHEMBL28004517 1.00 SLC6A2 (0.73) SLC6A2SLC6A4OPRM1OPRD1SLC22A1
SCHEMBL158342 1.00 SLC6A2 (0.73) SLC6A2SLC6A4OPRM1OPRD1SLC22A1
SCHEMBL159543 0.90 SLC6A2 (0.63) SLC6A2SLC6A4OPRM1OPRD1SLC22A1
SCHEMBL29966428 0.90 SLC6A2 (0.63) SLC6A2SLC6A4OPRM1OPRD1SLC22A1
SCHEMBL20473750 0.90 SLC6A2 (0.63) SLC6A2SLC6A4OPRM1OPRD1SLC22A1
SCHEMBL15654221 0.90 SLC6A2 (0.63) SLC6A2SLC6A4OPRM1OPRD1SLC22A1
SCHEMBL19461051 0.89 OPRM1 (0.62) SLC6A2SLC6A4OPRM1OPRD1SLC22A1
SCHEMBL159730 0.89 OPRM1 (0.62) SLC6A2SLC6A4OPRM1OPRD1SLC22A1
SCHEMBL17506037 0.89 OPRM1 (0.62) SLC6A2SLC6A4OPRM1OPRD1SLC22A1
SCHEMBL29966537 0.89 OPRM1 (0.62) SLC6A2SLC6A4OPRM1OPRD1SLC22A1

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
US-11844865-B2 Abuse-proofed oral dosage form Grünenthal GmbH (DE) 2023-12-19 US disclosed
EP-1765303-B2 ORAL TABLET SAFEGUARDED AGAINST ABUSE GRUENENTHAL GMBH (DE) 2022-11-23 EP disclosed