SCHEMBL466829

SCHEMBL466829

Cn1c(=O)sc2cc(CCN3CCC(Cc4ccccc4)CC3)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 1.00
HTR1A P08908 5/20 0.68
HTR2C P28335 3/20 0.68
CCR3 P51677 1/20 0.57

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
SCHEMBL8110473 0.93 SIGMAR1 (1.00) SIGMAR1HTR1AHTR2CCCR3
SCHEMBL8870940 0.90 SIGMAR1 (0.82) SIGMAR1HTR1AHTR2C
SCHEMBL8100660 0.86 SIGMAR1 (1.00) SIGMAR1HTR1AHTR2C
SCHEMBL7759816 0.84 SIGMAR1 (1.00) SIGMAR1HTR1AHTR2C
SCHEMBL8116065 0.79 HTR1A (0.67) SIGMAR1HTR1AHTR2CCCR3
SCHEMBL8117008 0.79 SIGMAR1 (1.00) SIGMAR1HTR1AHTR2C
SCHEMBL8870163 0.78 SIGMAR1 (0.64) SIGMAR1HTR1ACCR3
SCHEMBL7759846 0.77 SIGMAR1 (1.00) SIGMAR1HTR1AHTR2C
SCHEMBL9449586 0.76 SIGMAR1 (0.69) SIGMAR1HTR1AHTR2C
SCHEMBL8870387 0.76 SIGMAR1 (0.61) SIGMAR1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0673933-B1 Aminoalkyl benzoxazolinones and benzothiazolinones process for their preparation and compositions containing them ADIR (FR) 2000-11-08 EP claimed
US-5688811-A PSYCHOLOGICAL DISORDERS; NERVOUS SYSTEM DISORDERS ADIR ET COMPAGNIE (FR) 1997-11-18 US claimed
EP-0673933-A1 Aminoalkyl benzoxazolinones and benzothiazolinones process for their preparation and compositions containing them ADIR ET COMPAGNIE (FR) 1995-09-27 EP claimed
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
EP-0673933-B1 Aminoalkyl benzoxazolinones and benzothiazolinones process for their preparation and compositions containing them ADIR (FR) 2000-11-08 EP disclosed
US-5688820-A NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS ADIR ET COMPAGNIE (FR) 1997-11-18 US disclosed
US-5688811-A PSYCHOLOGICAL DISORDERS; NERVOUS SYSTEM DISORDERS ADIR ET COMPAGNIE (FR) 1997-11-18 US disclosed
US-5534511-A AFFINITY FOR SIGMA RECEPTORS, ANTIINFLAMMATORY, TREATMENT OF ARTHRITIS ADIR ET COMPAGNIE (FR) 1996-07-09 US disclosed
EP-0673933-A1 Aminoalkyl benzoxazolinones and benzothiazolinones process for their preparation and compositions containing them ADIR ET COMPAGNIE (FR) 1995-09-27 EP disclosed