SCHEMBL29966537

SCHEMBL29966537

CN(C)CC1CCCCC1(O)c1cccc(OC(=O)c2ccc(Cl)cc2O)c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.62
SLC6A2 P23975 8/20 0.62
SLC6A4 P31645 8/20 0.62
OPRD1 P41143 5/20 0.62
OPRK1 P41145 4/20 0.62
SLC22A1 O15245 3/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
CHRM2 P08172 1/20 0.62
CHRM1 P11229 1/20 0.62
HTR3A P46098 4/20 0.46
HTR4 Q13639 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL19461051 1.00 OPRM1 (0.62) OPRM1SLC6A2SLC6A4OPRD1OPRK1
SCHEMBL159730 1.00 OPRM1 (0.62) OPRM1SLC6A2SLC6A4OPRD1OPRK1
SCHEMBL17506037 1.00 OPRM1 (0.62) OPRM1SLC6A2SLC6A4OPRD1OPRK1
SCHEMBL29966428 0.90 SLC6A2 (0.63) OPRM1SLC6A2SLC6A4OPRD1OPRK1
SCHEMBL159543 0.90 SLC6A2 (0.63) OPRM1SLC6A2SLC6A4OPRD1OPRK1
SCHEMBL20473750 0.90 SLC6A2 (0.63) OPRM1SLC6A2SLC6A4OPRD1OPRK1
SCHEMBL15654221 0.90 SLC6A2 (0.63) OPRM1SLC6A2SLC6A4OPRD1OPRK1
SCHEMBL158342 0.89 SLC6A2 (0.73) OPRM1SLC6A2SLC6A4OPRD1OPRK1
SCHEMBL28004517 0.89 SLC6A2 (0.73) OPRM1SLC6A2SLC6A4OPRD1OPRK1
SCHEMBL29965897 0.89 SLC6A2 (0.73) OPRM1SLC6A2SLC6A4OPRD1OPRK1

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