SCHEMBL493383

SCHEMBL493383

CN(C)C(C#N)C1CCC2(CC1)OCCO2

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32

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
SCHEMBL628804 0.76 CTSS (0.32) CTSSCTSK
SCHEMBL492933 0.73 CTSS (0.31) CTSSCTSK
SCHEMBL9998710 0.70 SMN1; SMN2 (0.32)
SCHEMBL8275624 0.69 CTSS (0.31) CTSSCTSK
SCHEMBL6990132 0.69 C5AR1 (0.32)
SCHEMBL16256343 0.69 IDO1 (0.32) CTSSCTSK
SCHEMBL9998563 0.67 IDO1 (0.32) CTSSCTSK
SCHEMBL643089 0.67 HPGD (0.31)
SCHEMBL23581343 0.66 CTSS (0.30) CTSSCTSK
SCHEMBL2200088 0.66 SMN1; SMN2 (0.35) CTSSCTSK

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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963289-B1 SUBSTITUTED OXADIAZOLE DERIVATIVES AND THEIR USE AS OPIOID RECEPTOR LIGANDS GRUENENTHAL GMBH (DE) 2013-05-15 EP disclosed
EP-1963289-B1 SUBSTITUTED OXADIAZOLE DERIVATIVES AND THEIR USE AS OPIOID RECEPTOR LIGANDS GRUENENTHAL GMBH (DE) 2013-05-15 EP disclosed
US-8124788-B2 Spirocyclic cyclohexane compounds with analgesic activity GRUENENTHAL GMBH (DE) 2012-02-28 US disclosed
US-8119633-B2 N-{2-[2-(4-benzyl-4-hydroxy-piperidin-1-yl)-2-oxo-ethoxy]-ethyl}-N-ethyl-4-methoxy-2,3,6-trimethyl-phenylsulfonamide; condensing the N-carboxyalkyl phenylsulfonamide with the substituted piperidine; bradykinin receptor antagonists; analgesics; antidiabetics; angiogenesis inhibitors; rheumatic diseases GRUENENTHAL GMBH (DE) 2012-02-21 US disclosed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
US-8058475-B2 Substituted cyclohexylmethyl compounds GRUENENTHAL GMBH (DE) 2011-11-15 US disclosed
US-8058475-B2 Substituted cyclohexylmethyl compounds GRUENENTHAL GMBH (DE) 2011-11-15 US disclosed
US-8058475-B2 Substituted cyclohexylmethyl compounds GRUENENTHAL GMBH (DE) 2011-11-15 US disclosed
EP-2150530-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2011-10-26 EP disclosed
EP-1963288-B1 SUBSTITUTED OXAZOLE DERIVATIVES WITH AN ANALGESIC ACTION GRUENENTHAL GMBH (DE) 2011-09-07 EP disclosed
EP-1963288-A1 SUBSTITUTED OXAZOLE DERIVATIVES WITH AN ANALGESIC ACTION Grünenthal GmbH (DE) 2008-09-03 EP disclosed
WO-2007124903-A1 SPIROCYCLIC CYCLOHEXANE DERIVATIVE WITH ANALGESIC PROPERTIES Grünenthal GmbH (DE) 2007-11-08 WO disclosed
WO-2007079931-A1 SUBSTITUTED OXADIAZOLE DERIVATIVES AND THEIR USE AS OPIOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2007-07-19 WO disclosed
WO-2007079931-A1 SUBSTITUTED OXADIAZOLE DERIVATIVES AND THEIR USE AS OPIOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2007-07-19 WO disclosed
WO-2007079928-A1 SUBSTITUTED OXAZOLE DERIVATIVES WITH AN ANALGESIC ACTION Grünenthal GmbH (DE) 2007-07-19 WO disclosed
WO-2007079928-A1 SUBSTITUTED OXAZOLE DERIVATIVES WITH AN ANALGESIC ACTION Grünenthal GmbH (DE) 2007-07-19 WO disclosed
WO-2007079927-A1 SUBSTITUTED IMIDAZOLINE DERIVATIVES Grünenthal GmbH (DE) 2007-07-19 WO disclosed
WO-2007079927-A1 SUBSTITUTED IMIDAZOLINE DERIVATIVES Grünenthal GmbH (DE) 2007-07-19 WO disclosed
WO-2007079930-A1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES Grünenthal GmbH (DE) 2007-07-19 WO disclosed
WO-2007079930-A1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES Grünenthal GmbH (DE) 2007-07-19 WO disclosed