SCHEMBL557756

SCHEMBL557756

CN(C)CCC1(c2cccc(O)c2)CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.51
OPRM1 P35372 3/20 0.51
ACHE P22303 3/20 0.51
SLC22A1 O15245 1/20 0.51
CHRM2 P08172 1/20 0.51
CYP2D6 P10635 1/20 0.51
SLC6A2 P23975 5/20 0.50
SLC6A3 Q01959 3/20 0.50
MEN1 O00255 1/20 0.50
OPRD1 P41143 1/20 0.50
OPRK1 P41145 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL13636459 0.80 SLC6A4 (0.51) SLC6A4OPRM1ACHESLC22A1CHRM2
SCHEMBL11637989 0.78 SLC6A2 (0.52) SLC6A4OPRM1SLC22A1CHRM2SLC6A2
Bromide SCHEMBL11636924 0.77 SLC6A2 (0.51) SLC6A4OPRM1SLC22A1CHRM2SLC6A2
SCHEMBL4240600 0.77 SLC6A4 (0.49) SLC6A4OPRM1ACHESLC22A1CHRM2
SCHEMBL5089843 0.77 SLC6A4 (0.74) SLC6A4SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL11638103 0.76 SLC6A4 (0.47) SLC6A4OPRM1ACHESLC22A1CHRM2
SCHEMBL11632321 0.75 SLC6A4 (0.50) SLC6A4OPRM1ACHESLC22A1CHRM2
SCHEMBL5089570 0.75 SLC6A4 (0.73) SLC6A4SLC6A2SLC6A3
SCHEMBL9118391 0.74 SLC6A4 (0.69) SLC6A4OPRM1SLC6A2SLC6A3
SCHEMBL11081910 0.74 SLC6A4 (0.43) SLC6A4OPRM1ACHESLC22A1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190008849-A1 ABUSE-PROOFED DOSAGE FORM Grünenthal GmbH (DE) 2019-01-10 US disclosed
US-20180243237-A1 ABUSE-PROOFED DOSAGE FORM Grünenthal GmbH (DE) 2018-08-30 US disclosed
US-10058548-B2 Abuse-proofed dosage form Grünenthal GmbH (DE) 2018-08-28 US disclosed
US-20170209379-A1 ABUSE-PROOFED DOSAGE FORM Grünenthal GmbH (DE) 2017-07-27 US disclosed
US-9629807-B2 Abuse-proofed dosage form Grünenthal GmbH (DE) 2017-04-25 US disclosed
US-20170027886-A1 Abuse-proofed dosage forms GRUENENTHAL GMBH (DE) 2017-02-02 US disclosed
US-20160374963-A1 ABUSE-PROOFED DOSAGE FORM Grünenthal GmbH (DE) 2016-12-29 US disclosed
US-20160361308-A1 ABUSE-PROOFED DOSAGE FORM GRUENENTHAL GMBH (DE) 2016-12-15 US disclosed
US-20160263037-A1 ABUSE-PROOFED DOSAGE FORM Grünenthal GmbH (DE) 2016-09-15 US disclosed
US-20160166517-A1 ABUSE-PROOFED DOSAGE FORM Grünenthal GmbH (DE) 2016-06-16 US disclosed
US-20130171075-A1 ABUSE-PROOFED DOSAGE FORM GRUNENTHAL GMBH (DE) 2013-07-04 US disclosed
US-8420056-B2 Abuse-proofed dosage form GRUNENTHAL GMBH (DE) 2013-04-16 US disclosed
US-8192722-B2 Abuse-proof dosage form GRUNENTHAL GMBH (DE) 2012-06-05 US disclosed
US-20120034171-A1 ABUSE-PROOFED DOSAGE FORM GRUENENTHAL GMBH (DE) 2012-02-09 US disclosed
US-20080311049-A1 Thermoforming by extrusion without discoloration; controlled release GRUNENTHAL GMBH (DE) 2008-12-18 US disclosed
US-20080247959-A1 FORM OF ADMINISTRATION SECURED AGAINST MISUSE GRUNENTHAL GMBH (DE) 2008-10-09 US disclosed
US-20070183979-A1 Abuse-proofed dosage form ENDO PHARMACEUTICALS, INC. 2007-08-09 US disclosed
US-20070183980-A1 Thermoforming by extrusion without discoloration; controlled release ENDO PHARMACEUTICALS, INC. 2007-08-09 US disclosed
US-20070048228-A1 Heat pressing a mixture of an active ingredient with abuse potential, a high strength polymer, and a wax into a controlled release dosage form ENDO PHARMACEUTICALS INC. 2007-03-01 US disclosed
US-20060193782-A1 Abuse-proofed dosage form ENDO PHARMACEUTICALS, INC. 2006-08-31 US disclosed