SCHEMBL5846508

SCHEMBL5846508

Cc1nc(Cl)c(Cl)n1CCCCN1CCC(O)(c2ccc(Cl)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.56
DRD2 P14416 11/20 0.54
HTR1A P08908 3/20 0.54
HTR2A P28223 3/20 0.54
DRD3 P35462 3/20 0.54
DRD4 P21917 2/20 0.54
SLC6A4 P31645 2/20 0.54
HTR7 P34969 2/20 0.54
DRD1 P21728 1/20 0.54
DRD5 P21918 1/20 0.54
SLC6A2 P23975 1/20 0.54
HRH1 P35367 1/20 0.54
HTR2B P41595 1/20 0.54
ADRA1A P35348 1/20 0.53
CCR1 P32246 1/20 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
SCHEMBL6159869 0.93 CCR1 (0.50) CCR3DRD2HTR1AHTR2ADRD3
SCHEMBL5847174 0.91 DRD2 (0.57) DRD2HTR1AHTR2ADRD3DRD4
SCHEMBL5848271 0.91 SIGMAR1 (0.53) CCR3DRD2HTR1AHTR2ADRD3
SCHEMBL5846506 0.82 DRD2 (0.50) CCR3DRD2HTR1AHTR2ADRD3
SCHEMBL5848902 0.80 OPRL1 (0.54) DRD2HTR1AHTR2ADRD3DRD4
SCHEMBL11938907 0.77 DRD2 (0.65) CCR3DRD2HTR1AHTR2ADRD3
SCHEMBL14307260 0.76 CCR3 (0.69) CCR3DRD2HTR1AHTR2ADRD3
SCHEMBL10287607 0.75 OPRM1 (0.63) CCR3DRD2HTR1AHTR2ADRD3
SCHEMBL1132636 0.74 CCR1 (0.65) CCR3DRD2HTR1AHTR2ADRD3
SCHEMBL10610496 0.74 DRD2 (0.65) CCR3DRD2HTR1AHTR2ADRD3

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 7 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
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-0721455-A1 TETRAHYDROPYRIDINE-(OR 4-HYDROXYPIPERIDINE)ALKYLAZOLES HAVING AN AFFINITY FOR SIGMA AND/OR 5HT1A RECEPTORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1996-07-17 EP claimed
WO-1996004287-A1 TETRAHYDROPYRIDINE-(OR 4-HYDROXYPIPERIDINE)ALKYLAZOLES HAVING AN AFFINITY FOR SIGMA AND/OR 5HT1A RECEPTORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1996-02-15 WO claimed