SCHEMBL5847458

SCHEMBL5847458

OC1(c2ccc(Cl)cc2)CCN(CCCCn2ccnn2)CC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.58
DRD2 P14416 11/20 0.56
DRD3 P35462 5/20 0.56
HTR1A P08908 3/20 0.56
DRD1 P21728 3/20 0.56
DRD5 P21918 3/20 0.56
SLC6A2 P23975 3/20 0.56
HTR2A P28223 3/20 0.56
SLC6A4 P31645 3/20 0.56
HTR7 P34969 3/20 0.56
HRH1 P35367 3/20 0.56
HTR2B P41595 3/20 0.56
ADRA1A P35348 1/20 0.55
CCR1 P32246 3/20 0.53
SIGMAR1 Q99720 3/20 0.51
SLC6A3 Q01959 1/20 0.51
LMNA P02545 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
SCHEMBL5847484 0.88 DRD2 (0.56) DRD2DRD3HTR1ADRD1DRD5
SCHEMBL5848812 0.79 CCR3 (0.59) CCR3DRD2DRD3HTR1ADRD1
SCHEMBL14307260 0.78 CCR3 (0.69) CCR3DRD2DRD3HTR1ADRD1
SCHEMBL1132636 0.76 CCR1 (0.65) CCR3DRD2DRD3HTR1ADRD1
SCHEMBL11938907 0.76 DRD2 (0.65) CCR3DRD2DRD3HTR1ADRD1
SCHEMBL10610496 0.76 DRD2 (0.65) CCR3DRD2DRD3HTR1ADRD1
SCHEMBL10287607 0.74 OPRM1 (0.63) CCR3DRD2DRD3HTR1ADRD1
SCHEMBL5846508 0.74 CCR3 (0.56) CCR3DRD2DRD3HTR1ADRD1
SCHEMBL7402253 0.73 CCR3 (1.00) CCR3DRD2DRD3HTR1ADRD1
SCHEMBL11932477 0.73 CCR1 (0.69) CCR3DRD2DRD3ADRA1ACCR1

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 4 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-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
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