SCHEMBL467167

SCHEMBL467167

Fc1ccc(CN2CCC3(CC2)OCc2ccccc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.77

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
SCHEMBL4206840 0.89 SIGMAR1 (0.80) SIGMAR1
Hydrochloric Acid SCHEMBL2882074 0.88 SIGMAR1 (0.78) SIGMAR1
SCHEMBL15963370 0.87 SIGMAR1 (0.77) SIGMAR1
SCHEMBL2359780 0.86 SIGMAR1 (0.60) SIGMAR1
SCHEMBL4216905 0.85 SIGMAR1 (0.59) SIGMAR1
SCHEMBL2360705 0.84 SIGMAR1 (0.73) SIGMAR1
SCHEMBL15963245 0.84 SIGMAR1 (0.72) SIGMAR1
SCHEMBL15160120 0.84 SIGMAR1 (0.72) SIGMAR1
SCHEMBL15493039 0.82 SIGMAR1 (0.69) SIGMAR1
SCHEMBL2971128 0.81 SIGMAR1 (0.68) SIGMAR1

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