SCHEMBL168864

SCHEMBL168864

CCC(c1ccc(O)cc1)C(C)CN(C)C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.67
SLC22A1 O15245 1/20 0.67
ESR1 P03372 8/20 0.62
SLC6A2 P23975 4/20 0.62
SLC6A3 Q01959 3/20 0.62
LMNA P02545 2/20 0.62
CYP1A2 P05177 1/20 0.62
PGR P06401 1/20 0.62
CHRM2 P08172 1/20 0.62
CYP3A4 P08684 1/20 0.62
ADORA3 P0DMS8 1/20 0.62
AR P10275 1/20 0.62
CYP2D6 P10635 1/20 0.62
MAPT P10636 1/20 0.62
CHRM1 P11229 1/20 0.62
CYP2C9 P11712 1/20 0.62
ALOX15 P16050 1/20 0.62
DRD1 P21728 1/20 0.62
TBXA2R P21731 1/20 0.62
PTGS1 P23219 1/20 0.62

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
SCHEMBL5345026 1.00 OPRM1 (0.67) OPRM1SLC22A1ESR1SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL28308661 0.98 OPRM1 (0.65) OPRM1SLC22A1ESR1SLC6A2SLC6A3
SCHEMBL28309532 0.81 SLC22A1 (0.66) OPRM1SLC22A1SLC6A2SLC6A3LMNA
Tapentadol SCHEMBL16267909 0.80 OPRM1 (1.00) OPRM1SLC22A1ESR1SLC6A2SLC6A3
Tapentadol SCHEMBL416917 0.80 OPRM1 (1.00) OPRM1SLC22A1ESR1SLC6A2SLC6A3
Tapentadol SCHEMBL16267561 0.80 OPRM1 (1.00) OPRM1SLC22A1ESR1SLC6A2SLC6A3
Tapentadol SCHEMBL3841350 0.80 OPRM1 (1.00) OPRM1SLC22A1ESR1SLC6A2SLC6A3
Tapentadol SCHEMBL1425181 0.80 OPRM1 (1.00) OPRM1SLC22A1ESR1SLC6A2SLC6A3
Tapentadol SCHEMBL147058 0.80 OPRM1 (1.00) OPRM1SLC22A1ESR1SLC6A2SLC6A3
Tapentadol SCHEMBL16266162 0.80 OPRM1 (1.00) OPRM1SLC22A1ESR1SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105561311-B Pharmaceutical composition comprising 3- (3- dimethylamino -1- Ethyl-2-Methyl-propyl)-phenol and NSAID 格吕伦塔尔有限公司 2019-07-16 CN disclosed
CN-108743549-A The self-regulation of active pharmaceutical ingredient discharges 阿库拉制药公司 2018-11-06 CN disclosed
CN-104968333-B Self-regulated release of active pharmaceutical ingredients 阿库拉制药公司 2018-07-10 CN disclosed
US-20140356314-A1 3-[3-(DIMETHYLAMINO)-1-ETHYL-2-METHYLPROPYL]PHENOL RESIN COMPLEX AREVIPHARMA GMBH (DE) 2014-12-04 US disclosed
EP-2808319-A1 3-[3-(Dimethylamino)-1-ethyl-2-methylpropyl]phenol resin complex Arevipharma GmbH (DE) 2014-12-03 EP disclosed
CN-101175482-B Abuse-proofed dosage form GRUENENTHAL GMBH 2013-09-18 CN disclosed
EP-2611425-A1 TAMPER RESISTANT DOSAGE FORM COMPRISING AN ANIONIC POLYMER Grünenthal GmbH (DE) 2013-07-10 EP disclosed
EP-2595971-A1 SALTS OR CO-CRYSTALS OF 3-(3-DIMETHYLAMINO-1-ETHYL-2-METHYL-PROPYL)-PHENOL Grünenthal GmbH (DE) 2013-05-29 EP disclosed
WO-2012028318-A1 TAMPER RESISTANT DOSAGE FORM COMPRISING AN ANIONIC POLYMER Grünenthal GmbH (DE) 2012-03-08 WO disclosed
WO-2012010316-A1 SALTS OR CO-CRYSTALS OF 3-(3-DIMETHYLAMINO-1-ETHYL-2-METHYL-PROPYL)-PHENOL Grünenthal GmbH (DE) 2012-01-26 WO disclosed