SCHEMBL896467

SCHEMBL896467

CC(C)NCC(COc1cccc2ccccc12)Oc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR2E1 Q9Y466 6/20 0.74
CYP2D6 P10635 7/20 0.64
ADRB2 P07550 5/20 0.64
ADRB1 P08588 5/20 0.64
SIGMAR1 Q99720 4/20 0.64
CYP1A2 P05177 4/20 0.64
ADRB3 P13945 4/20 0.64
SLC6A4 P31645 3/20 0.64
HTR2B P41595 3/20 0.64
ALDH1A1 P00352 3/20 0.64
HTR2A P28223 3/20 0.64
HTR2C P28335 3/20 0.64
HTR6 P50406 3/20 0.64
HTR1B P28222 3/20 0.64
SCN1A P35498 2/20 0.64
SLC10A1 Q14973 2/20 0.64
SCN2A Q99250 2/20 0.64
SCN3A Q9NY46 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
HTR1A P08908 2/20 0.64

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
Hydrochloric Acid SCHEMBL896128 0.99 NR2E1 (0.73) NR2E1CYP2D6ADRB2ADRB1SIGMAR1
SCHEMBL19440598 0.85 NR2E1 (1.00) NR2E1CYP2D6ADRB2ADRB1SIGMAR1
SCHEMBL10737803 0.84 NR2E1 (0.78) NR2E1CYP2D6ADRB2ADRB1SIGMAR1
SCHEMBL1298843 0.84 NR2E1 (0.78) NR2E1CYP2D6ADRB2ADRB1SIGMAR1
SCHEMBL11742816 0.84 NR2E1 (0.78) NR2E1CYP2D6ADRB2ADRB1SIGMAR1
SCHEMBL14070176 0.83 NR2E1 (0.76) NR2E1CYP2D6ADRB2ADRB1SIGMAR1
SCHEMBL11226386 0.82 NR2E1 (0.71) NR2E1CYP2D6ADRB2ADRB1SIGMAR1
SCHEMBL6018298 0.82 NR2E1 (0.74) NR2E1CYP2D6ADRB2ADRB1SIGMAR1
SCHEMBL19031799 0.82 NR2E1 (0.74) NR2E1CYP2D6ADRB2ADRB1SIGMAR1
SCHEMBL22354430 0.81 NR2E1 (0.74) NR2E1CYP2D6ADRB2ADRB1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140343160-A1 ADHESIVE MIXTURE FOR TRANSDERMAL DELIVERY OF HIGHLY PLASTICIZING DRUGS BERTEK, INC. 2014-11-20 US disclosed
US-8846093-B2 Adhesive mixture for transdermal delivery of highly plasticizing drugs MYLAN TECHNOLOGIES, INC. (US) 2014-09-30 US disclosed
US-20140243379-A1 ADHESIVE MIXTURE FOR TRANSDERMAL DELIVERY OF HIGHLY PLASTICIZING DRUGS MYLAN TECHNOLOGIES, INC. (US) 2014-08-28 US disclosed
US-20130018078-A1 ADHESIVE MIXTURE FOR TRANSDERMAL DELIVERY OF HIGHLY PLASTICIZING DRUGS MYLAN TECHNOLOGIES INC. (US) 2013-01-17 US disclosed
US-20120083535-A1 ADHESIVE MIXTURE FOR TRANSDERMAL DELIVERY OF HIGHLY PLASTICIZING DRUGS BERTEK, INC. 2012-04-05 US disclosed
US-20100040690-A1 Adhesive mixture for transdermal delivery of highly plasticizing drugs MYLAN TECHNOLOGIES, INC. 2010-02-18 US disclosed
US-7638140-B2 Adhesive mixture for transdermal delivery of highly plasticizing drugs MYLAN TECHNOLOGIES, INC. (US) 2009-12-29 US disclosed
US-20090041832-A1 Adhesive mixture for transdermal delivery of highly plasticizing drugs MYLAN TECHNOLOGIES, INC. 2009-02-12 US disclosed
US-7150881-B2 Adhesive mixture for transdermal delivery of highly plasticizing drugs MYLAN TECHNOLOGIES, INC. (US) 2006-12-19 US disclosed
US-7070808-B2 Adhesive mixture for transdermal delivery of highly plasticizing drugs MYLAN TECHNOLOGIES, INC. (US) 2006-07-04 US disclosed
EP-1561461-A2 Adhesive mixture for transdermal delivery of highly plasticizing drugs MYLAN TECHNOLOGIES, INC. (US) 2005-08-10 EP disclosed
US-20040137046-A1 such as selegiline and/or the use of protonated forms of various drugs; an adhesive, the drug in protonated form, a nonaqueous solvent that dissolves said drug in either protonated or unprotonated form, and a biocompatible deprotonating agent MYLAN TECHNOLOGIES, INC. 2004-07-15 US disclosed
US-20020150613-A1 Patches; sustained release drug delivery MYLAN TECHNOLOGIES, INC. 2002-10-17 US disclosed
US-20010006628-A1 Comprising an adhesive, drug in protonated form, a nonaqueous solvent capable of dissolving nonprotonated and protonated forms of the drug, and a biocompatible deprotonating agent to deprotonate the drug without irritating the skin MYLAN TECHNOLOGIES, INC. 2001-07-05 US disclosed
EP-0887075-A2 Adhesive mixture for transdermal delivery of highly plasticizing drugs BERTEK, INC. (US) 1998-12-30 EP disclosed