SCHEMBL467357

SCHEMBL467357

CN(C)C1CCC(O)(c2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 10/20 0.58
OPRM1 P35372 6/20 0.58
OPRK1 P41145 6/20 0.58
HSD11B1 P28845 1/20 0.47
OPRD1 P41143 3/20 0.42
TACR1 P25103 2/20 0.42
SLC6A4 P31645 1/20 0.42
KCNH2 Q12809 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL4352504 0.79 OPRL1 (0.68) OPRL1OPRM1OPRK1
SCHEMBL25547484 0.79 OPRL1 (0.53) OPRL1OPRM1OPRK1OPRD1POLB
SCHEMBL11476687 0.79 OPRL1 (0.53) OPRL1OPRM1OPRK1OPRD1POLB
SCHEMBL317531 0.78 OPRL1 (0.47) OPRL1OPRM1OPRK1
SCHEMBL11251238 0.77 OPRL1 (0.42) OPRL1OPRM1OPRK1OPRD1TACR1
SCHEMBL11815569 0.76 OPRL1 (0.50) OPRL1OPRM1OPRK1OPRD1SLC6A4
SCHEMBL7815717 0.75 OPRL1 (0.68) OPRL1OPRM1OPRK1OPRD1SIGMAR1
SCHEMBL10060840 0.75 OPRL1 (0.68) OPRL1OPRM1OPRK1OPRD1SIGMAR1
SCHEMBL6659414 0.75 OPRL1 (0.56) OPRL1OPRM1OPRK1OPRD1ALDH1A1
SCHEMBL6659407 0.75 OPRL1 (0.56) OPRL1OPRM1OPRK1OPRD1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5239110-A Phenylcyclohexanol derivatives as agents for treating CNS disorders STERLING WINTHROP, INC. (US) 1993-08-24 US 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-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-5239110-A Phenylcyclohexanol derivatives as agents for treating CNS disorders STERLING WINTHROP, INC. (US) 1993-08-24 US disclosed