SCHEMBL466948

SCHEMBL466948

COc1ccccc1N1CCN(CCCOc2ccc3c(c2)[nH]c2ccccc23)CC1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.71
DRD3 P35462 7/20 0.71
DRD4 P21917 4/20 0.71
FAAH O00519 1/20 0.69
SLC6A2 P23975 2/20 0.69
SLC6A4 P31645 2/20 0.69
ADRA1A P35348 2/20 0.63
HTR2A P28223 1/20 0.61
ALDH1A1 P00352 1/20 0.60
LMNA P02545 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60

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
SCHEMBL253846 0.84 DRD2 (0.90) DRD2DRD3DRD4SLC6A2SLC6A4
SCHEMBL3654118 0.84 DRD2 (0.74) DRD2DRD3DRD4SLC6A2SLC6A4
SCHEMBL10664987 0.83 DRD2 (1.00) DRD2DRD3DRD4SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL3661243 0.83 DRD2 (0.73) DRD2DRD3DRD4SLC6A2SLC6A4
SCHEMBL16403787 0.82 DRD3 (1.00) DRD2DRD3DRD4FAAHHTR2A
SCHEMBL252086 0.82 DRD2 (0.88) DRD2DRD3DRD4SLC6A2SLC6A4
SCHEMBL252898 0.81 SLC6A2 (0.74) DRD2DRD3DRD4SLC6A2SLC6A4
SCHEMBL13532791 0.80 DRD2 (0.94) DRD2DRD3DRD4SLC6A2SLC6A4
SCHEMBL246381 0.80 LMNA (0.76) DRD2DRD3SLC6A2SLC6A4ADRA1A
SCHEMBL3411899 0.80 SLC6A2 (0.76) DRD2DRD3DRD4SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2600863-B1 USE OF SIGMA LIGANDS IN OPIOID-INDUCED HYPERALGESIA ESTEVE LABOR DR (ES) 2018-03-28 EP disclosed
EP-2646025-B1 USE OF SIGMA LIGANDS IN BONE CANCER PAIN ESTEVE LABOR DR (ES) 2017-03-15 EP disclosed
EP-2531191-B1 Sigma ligands for use in the prevention and/or treatment of postoperative pain ESTEVE LABOR DR (ES) 2016-03-30 EP disclosed
EP-2571501-B1 SIGMA LIGANDS FOR THE PREVENTION AND/OR TREATMENT OF EMESIS INDUCED BY CHEMOTHERAPY OR RADIOTHERAPY ESTEVE LABOR DR (ES) 2016-03-02 EP disclosed
EP-2460519-A1 Use of sigma ligands in bone cancer pain Laboratorios Del. Dr. Esteve, S.A. (ES) 2012-06-06 EP disclosed
EP-2415471-A1 Use of sigma ligands in opioid-induced hyperalgesia Laboratorios Del. Dr. Esteve, S.A. (ES) 2012-02-08 EP disclosed
EP-2388005-A1 Sigma ligands for the prevention and/or treatment of emesis induced by chemotherapy or radiotherapy Laboratorios Del. Dr. Esteve, S.A. (ES) 2011-11-23 EP disclosed
EP-2353598-A1 Sigma ligands for use in the prevention and/or treatment of postoperative pain Laboratorios Del. Dr. Esteve, S.A. (ES) 2011-08-10 EP disclosed