SCHEMBL6598945

SCHEMBL6598945

CC(C)(C)OC(=O)N1CCC(c2cn(-c3ccc(F)cc3)c3ccc(Br)cc23)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.47
HTR1B P28222 1/20 0.46
HTR6 P50406 1/20 0.46
POLB P06746 1/20 0.45
KCNH2 Q12809 1/20 0.45
HTR2A P28223 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL6600673 0.86 KCNH2 (0.52) POLBKCNH2ALDH1A1LMNACYP3A4
SCHEMBL6966415 0.86 GPR119 (0.47) DRD2HTR1BHTR6KCNH2
SCHEMBL6601681 0.84 DRD2 (0.70) DRD2HTR1BHTR6POLBHTR2A
SCHEMBL6600804 0.84 HTR1B (0.60) DRD2HTR1BHTR6HTR2A
SCHEMBL6603834 0.83 DRD2 (0.71) DRD2HTR1BHTR6POLBHTR2A
SCHEMBL12127417 0.83 SCN9A (0.57) DRD2
SCHEMBL6597267 0.83 DRD2 (0.72) DRD2HTR1BHTR6HTR2A
SCHEMBL6625693 0.82 HTR1B (0.61) DRD2HTR1BHTR6HTR2A
SCHEMBL6953494 0.82 DRD2 (0.73) DRD2HTR1BHTR6HTR2A
SCHEMBL6600206 0.82 DRD2 (0.71) DRD2HTR1BHTR6HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1478643-A1 5-HETEROARYL SUBSTITUTED INDOLES H. Lundbeck A/S (DK) 2004-11-24 EP disclosed
WO-2003070723-A1 5-HETEROARYL SUBSTITUTED INDOLES H. LUNDBECK A/S (DK) 2003-08-28 WO disclosed
EP-0575430-B1 PREPARATION OF A MEDICAMENT FOR THE TREATMENT OF ADDICTION TO DRUGS AND SUBSTANCES OF ABUSE LUNDBECK & CO AS H (DK) 1998-08-05 EP disclosed
EP-0575429-B1 TREATMENT OF COGNITIVE DISORDERS LUNDBECK & CO AS H (DK) 1995-12-06 EP disclosed
US-5462948-A Treatment of addiction to drugs and substances of abuse H. LUNDBECK A/S (DK) 1995-10-31 US disclosed
US-5444073-A Administering 1-aryl-3-(4-piperidyl)-indole derivatives H. LUNDBECK A/S (DK) 1995-08-22 US disclosed
US-5439922-A Administering dopamine antagonists having reduced side effects H. LUNDBECK A/S (DK) 1995-08-08 US disclosed
EP-0533824-B1 PIPERIDYL-SUBSTITUTED INDOLES LUNDBECK & CO AS H (DK) 1994-11-09 EP disclosed