SCHEMBL5848265

SCHEMBL5848265

OC1(c2ccc(F)cc2)CCN(CCCCn2nc3ccccc3n2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 15/20 0.57
DRD3 P35462 7/20 0.57
HTR1A P08908 5/20 0.57
SLC6A2 P23975 5/20 0.57
HTR2A P28223 5/20 0.57
SLC6A4 P31645 5/20 0.57
HRH1 P35367 5/20 0.57
HTR2B P41595 5/20 0.57
DRD1 P21728 4/20 0.57
DRD5 P21918 4/20 0.57
HTR7 P34969 4/20 0.57
SLC6A3 Q01959 3/20 0.55
CCR1 P32246 1/20 0.55
SIGMAR1 Q99720 4/20 0.52
LMNA P02545 1/20 0.52
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
ADRA2A P08913 2/20 0.51
CYP2D6 P10635 2/20 0.51
CHRM1 P11229 2/20 0.51

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
SCHEMBL8010420 0.85 DRD2 (0.72) DRD2DRD3HTR1ASLC6A2HTR2A
SCHEMBL5847009 0.82 DRD2 (0.52) DRD2DRD3HTR1ASLC6A2HTR2A
SCHEMBL5846994 0.80 DRD2 (0.52) DRD2DRD3HTR1ASLC6A2HTR2A
SCHEMBL5846289 0.80 CCR1 (0.55) DRD2DRD3HTR1ASLC6A2HTR2A
SCHEMBL8570792 0.77 DRD2 (0.65) DRD2DRD3HTR1ASLC6A2HTR2A
SCHEMBL7665773 0.77 DRD2 (0.65) DRD2DRD3HTR1ASLC6A2HTR2A
Hydrochloric Acid SCHEMBL7662807 0.76 DRD2 (0.64) DRD2DRD3HTR1ASLC6A2HTR2A
Hydrochloric Acid SCHEMBL7658319 0.76 DRD2 (0.64) DRD2DRD3HTR1ASLC6A2HTR2A
SCHEMBL5848249 0.75 DRD2 (0.52) DRD2DRD3HTR1ASLC6A2HTR2A
Hydrochloric Acid SCHEMBL11840393 0.75 DRD2 (0.86) DRD2DRD3HTR1ASLC6A2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39113-E1 Utilization of derivatives of tetrahydropyridines(or 4-hydroxypiperidines)-butylazols in the preparation of a medicament for the treatment of pain LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2006-05-30 US claimed
EP-0721455-B9 TETRAHYDROPYRIDINE-(OR 4-HYDROXYPIPERIDINE)ALKYLAZOLES HAVING AN AFFINITY FOR SIGMA AND/OR 5HT1A RECEPTORS ESTEVE LABOR DR (ES) 2005-04-20 EP claimed
EP-1097698-B1 UTILIZATION OF DERIVATIVES OF TETRAHYDROPYRIDINES (OR 4-HYDROXYPIPERIDINES)-BUTYLAZOLS IN THE PREPARATION OF A MEDICAMENT FOR THE TREATMENT OF PAIN ESTEVE LABOR DR (ES) 2003-05-07 EP claimed
EP-0721455-B1 TETRAHYDROPYRIDINE-(OR 4-HYDROXYPIPERIDINE)ALKYLAZOLES HAVING AN AFFINITY FOR SIGMA AND/OR 5HT1A RECEPTORS ESTEVE LABOR DR (ES) 2002-12-11 EP claimed
US-6384055-B1 ANALGESICS LABORATORIOS DEL DR. ESTEVES, S.A. (ES) 2002-05-07 US claimed
EP-1097698-A2 UTILIZATION OF DERIVATIVES OF TETRAHYDROPYRIDINES (OR 4-HYDROXYPIPERIDINES)-BUTYLAZOLS IN THE PREPARATION OF A MEDICAMENT FOR THE TREATMENT OF PAIN LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2001-05-09 EP claimed
EP-0939632-B1 NON-PEPTIDYL VASOPRESSIN V1a ANTAGONISTS LILLY CO ELI (US) 2005-10-05 EP disclosed
US-6610680-B1 Administering as adjuncts in heart failure or as antithrombotic agents, treatment of obsessive-compulsive disorder, aggressive disorders, depression and anxiety ELI LILLY AND COMPANY 2003-08-26 US disclosed
US-6204260-B1 2-(AZETIDIN-2-ON-1-YL)ACETIC ACID DERIVATIVES ELI LILLY AND COMPANY 2001-03-20 US disclosed