SCHEMBL466857

SCHEMBL466857

c1ccc(CCCCN2CCC3(CC2)OCc2ccccc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.65
SIGMAR1 Q99720 2/20 0.62
OPRL1 P41146 1/20 0.61

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
SCHEMBL7431429 0.99 HTR1A (0.64) HTR1ASIGMAR1OPRL1
SCHEMBL6198931 0.99 HTR1A (0.64) HTR1ASIGMAR1OPRL1
SCHEMBL7431103 0.96 SIGMAR1 (0.67) SIGMAR1OPRL1
SCHEMBL7437042 0.91 SIGMAR1 (0.65) SIGMAR1OPRL1
SCHEMBL467160 0.91 GRIN1 (0.70) SIGMAR1
SCHEMBL8010239 0.89 GRIN1 (0.68)
SCHEMBL8010301 0.89 GRIN1 (0.68)
SCHEMBL8012780 0.88 GRIN1 (0.66) SIGMAR1
SCHEMBL8010724 0.85 SIGMAR1 (0.66) SIGMAR1
SCHEMBL7433636 0.84 GRIN1 (0.63)

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 15 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-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
EP-0859004-B1 Piperidine derivatives having anxiolytic effect LUNDBECK & CO AS H (DK) 2003-05-02 EP disclosed
US-6207677-B1 ADMINISERING SIGMA RECEPTOR BINDING PIPERIDINE DERIVATIVE FOR TREATING ANXIETY, EPILEPSY, CONVULSION, MOVEMENT DISORDER, AMNESIA H. LUNDBECK A/S (DK) 2001-03-27 US disclosed
US-6031099-A Piperidine derivates having anxiolytic effect H. LUNDBECK A/S (DK) 2000-02-29 US disclosed
US-5807871-A PSYCHOLOGICAL DISORDERS, ALZHEIMER OR PARKINSON DISEASE H. LUNDBECK A/S (DK) 1998-09-15 US disclosed
EP-0593511-B1 PIPERIDINE DERIVATES HAVING ANXIOLYTIC EFFECT LUNDBECK & CO AS H (DK) 1998-09-02 EP disclosed
EP-0859004-A1 Piperidine derivatives having anxiolytic effect H. LUNDBECK A/S (DK) 1998-08-19 EP disclosed
US-5665725-A Piperidine derivatives having anxiolytic effect Lundbeck, H. (DK) 1997-09-09 US disclosed
EP-0518805-A1 Piperidine derivatives H. LUNDBECK A/S (DK) 1992-12-16 EP disclosed