SCHEMBL467089

SCHEMBL467089

CCCCN1CCC2c3ccccc3CC2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 18/20 1.00

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
SCHEMBL9307027 0.88 SIGMAR1 (1.00) SIGMAR1
SCHEMBL9307021 0.88 SIGMAR1 (1.00) SIGMAR1
SCHEMBL9307633 0.88 SIGMAR1 (1.00) SIGMAR1
SCHEMBL9307016 0.88 SIGMAR1 (1.00) SIGMAR1
Hydrochloric Acid SCHEMBL9308492 0.87 SIGMAR1 (1.00) SIGMAR1
Hydrochloric Acid SCHEMBL9308495 0.87 SIGMAR1 (1.00) SIGMAR1
SCHEMBL7382127 0.86 SIGMAR1 (1.00) SIGMAR1
SCHEMBL9307840 0.80 SIGMAR1 (0.97) SIGMAR1
SCHEMBL7381396 0.78 SIGMAR1 (0.74) SIGMAR1
SCHEMBL11561535 0.75 SIGMAR1 (0.60) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5254561-A Tricyclic antipsychotic agents MERCK SHARP & DOHME LIMITED (GB) 1993-10-19 US claimed
EP-0463691-A2 Tricyclic sigma ligands MERCK SHARP & DOHME LTD. (GB) 1992-01-02 EP claimed
JP-4230217-A None JP disclosed
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
US-5254561-A Tricyclic antipsychotic agents MERCK SHARP & DOHME LIMITED (GB) 1993-10-19 US disclosed
JP-H04230217-A TRICYCLIC SIGMA-LIGAND MERCK SHARP & DOHME LTD 1992-08-19 JP disclosed
EP-0463691-A2 Tricyclic sigma ligands MERCK SHARP & DOHME LTD. (GB) 1992-01-02 EP disclosed