SCHEMBL7298077

SCHEMBL7298077

CCC(C)C(C)NCC(O)COc1ccccc1C1CCCCCC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.64
CYP2D6 P10635 5/20 0.64
SLC6A4 P31645 5/20 0.64
HTR1A P08908 4/20 0.64
ADRA1A P35348 3/20 0.64
ADRA2A P08913 2/20 0.64
CYP2C9 P11712 2/20 0.64
SLC6A2 P23975 2/20 0.64
OPRM1 P35372 2/20 0.64
DRD3 P35462 2/20 0.64
KCNH2 Q12809 2/20 0.64
USP2 O75604 1/20 0.64
CHRM1 P11229 1/20 0.64
DRD1 P21728 1/20 0.64
TBXA2R P21731 1/20 0.64
PTGS1 P23219 1/20 0.64
PRMT5 O14744 1/20 0.49
WDR77 Q9BQA1 1/20 0.49
ADRB2 P07550 10/20 0.48
ADRB1 P08588 10/20 0.48

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
Exaprolol SCHEMBL614255 0.88 CYP1A2 (0.72) CYP1A2CYP2D6SLC6A4HTR1AADRA1A
Exaprolol SCHEMBL612844 0.87 CYP1A2 (0.70) CYP1A2CYP2D6SLC6A4HTR1AADRA1A
SCHEMBL30295338 0.87 CYP1A2 (0.73) CYP1A2CYP2D6SLC6A4HTR1AADRA1A
Exaprolol SCHEMBL614256 0.86 CYP1A2 (0.69) CYP1A2CYP2D6SLC6A4HTR1AADRA1A
Procinolol SCHEMBL1254736 0.83 CYP1A2 (0.67) CYP1A2CYP2D6SLC6A4HTR1AADRA1A
Exaprolol SCHEMBL11319783 0.83 CYP1A2 (0.65) CYP1A2CYP2D6SLC6A4HTR1AADRA1A
SCHEMBL13148951 0.81 HTR1A (0.75) CYP1A2CYP2D6SLC6A4HTR1AADRA1A
SCHEMBL8891641 0.79 HTR1A (0.98) CYP1A2CYP2D6SLC6A4HTR1AADRA1A
SCHEMBL9233315 0.79 HTR1A (0.68) CYP1A2CYP2D6SLC6A4HTR1AADRA1A
SCHEMBL7289148 0.79 HTR1A (0.68) CYP1A2CYP2D6SLC6A4HTR1AADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6169105-B1 POTENTIATING THE ACTION OF PAROXETINE IN INCREASING THE AVAILABILITY OF SEROTONIN, NOREPINEPHRINE AND DOPAMINE IN THE BRAIN BY ADMINISTERING PAROXETINE TO A PATIENT IN NEED THEREOF IN COMBINATION WITH WAY 100635 ELI LILLY AND COMPANY 2001-01-02 US disclosed
EP-0759299-B1 Potentiation of serotonin response LILLY CO ELI (US) 2000-04-26 EP disclosed
US-5958429-A TREATING DEPRESSION ELI LILLY AND COMPANY (US) 1999-09-28 US disclosed
US-5776969-A MIXTURE OF ANTISEROTONIN AGENT AND SEROTONIN RECEPTOR ANTAGONIST ELI LILLY AND COMPANY (US) 1998-07-07 US disclosed
WO-1997031629-A1 TREATMENT OF SLEEP DISORDERS ELI LILLY AND COMPANY (US) 1997-09-04 WO disclosed
EP-0792649-A1 Treatment of sleep disorders ELI LILLY AND COMPANY (US) 1997-09-03 EP disclosed
WO-1997006792-A1 POTENTIATION OF SEROTONIN RESPONSE ELI LILLY AND COMPANY (US) 1997-02-27 WO disclosed
EP-0759299-A1 Potentiation of serotonin response ELI LILLY AND COMPANY (US) 1997-02-26 EP disclosed
US-5552429-A ADMINISTERING FLUOXETINE AND PINDOLOL TO INCREASE AVAILABILITY OF SEROTONIN, DOPAMINE AND NOREPINEPHRINE ELI LILLY AND COMPANY (US) 1996-09-03 US disclosed
US-5538992-A SEROTONIN RECEPTOR ANTAGONIST AND FLUOXETINE FOR INCONTIENCE AND ANTIDEPRESSANTS ELI LILLY AND COMPANY (US) 1996-07-23 US disclosed
US-5532264-A POTENTIATION OF VENLAFAXINE, MILNACIPRAN AND DULOXETINE TO INCREASE AVAILABLE SEROTONIN, NOREPINEPHRINE AND DOPAMINE IN THE BRAIN BY ADMINISTERING OXYALKYLAMINE DERIVATIVES ELI LILLY AND COMPANY (US) 1996-07-02 US disclosed
US-5532250-A ADMINISTERING A SEROTONIN 1A RECEPTOR ANTAGONIST: ALPRENOLOL, PINDOLOL, PROPRANOLOL, OR TERTATOLOL, WITH FLUOXETINE, VENLAFAXINE, MILNACIPRAN RO DULOXETINE ELI LILLY AND COMPANY (US) 1996-07-02 US disclosed
US-5532268-A INCREASING THE SEROTONIN, NOREPINEPHRINE AND DOPAMINE IN THE BRAIN USING FLUOXETINE AND ALPRENOLOL, SPIPERONE, TETRATOLOL AND PROPRANOLOL ELI LILLY AND COMPANY (US) 1996-07-02 US disclosed
US-5532244-A Potentiation of drug response ELI LILLY AND COMPANY (US) 1996-07-02 US disclosed
EP-0714663-A2 Potentiation of drug response by a serotonin 1A receptor antagonist ELI LILLY AND COMPANY (US) 1996-06-05 EP disclosed
EP-0687472-A2 Potentiation of drug response by a serotonin 1A receptor antagonist ELI LILLY AND COMPANY (US) 1995-12-20 EP disclosed
EP-0642787-A2 Cessation of tobacco use ELI LILLY AND COMPANY (US) 1995-03-15 EP disclosed