SCHEMBL5848812

SCHEMBL5848812

OC1(c2ccc(Cl)cc2)CCN(CCCCn2cc(Cl)cn2)CC1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.59
DRD2 P14416 11/20 0.57
DRD3 P35462 5/20 0.57
HTR1A P08908 3/20 0.57
DRD1 P21728 3/20 0.57
DRD5 P21918 3/20 0.57
SLC6A2 P23975 3/20 0.57
HTR2A P28223 3/20 0.57
SLC6A4 P31645 3/20 0.57
HTR7 P34969 3/20 0.57
HRH1 P35367 3/20 0.57
HTR2B P41595 3/20 0.57
ADRA1A P35348 1/20 0.56
CCR1 P32246 3/20 0.54
SIGMAR1 Q99720 3/20 0.52
SLC6A3 Q01959 1/20 0.52
LMNA P02545 1/20 0.52

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
SCHEMBL5847342 0.92 CCR1 (0.53) CCR3DRD2DRD3HTR1ADRD1
SCHEMBL5848148 0.91 CCR3 (0.58) CCR3DRD2CCR1SIGMAR1
SCHEMBL5847405 0.89 ALDH1A1 (0.58) CCR3DRD2DRD3HTR1ADRD1
SCHEMBL6160929 0.85 CCR1 (0.52) CCR3DRD2DRD3HTR1ADRD1
SCHEMBL5847004 0.84 CCR3 (0.58) CCR3DRD2DRD3HTR1AHTR2A
SCHEMBL5847140 0.81 OPRL1 (0.56) CCR3DRD2DRD3HTR1ADRD1
SCHEMBL14307260 0.79 CCR3 (0.69) CCR3DRD2DRD3HTR1ADRD1
SCHEMBL5847458 0.79 CCR3 (0.58) CCR3DRD2DRD3HTR1ADRD1
SCHEMBL5848317 0.78 CCR1 (0.44) CCR3DRD2DRD3HTR1AHTR2A
SCHEMBL1132636 0.77 CCR1 (0.65) CCR3DRD2DRD3HTR1ADRD1

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
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
CN-1120167-C Tetrahydropyridine-(or 4-hydroxypiperidine) Alkylazoles having an affinity for sigma and/or 5HTIA receptors ESTEVE S A LAB DE DR (ES) 2003-09-03 CN 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
CN-1166173-A Tetrahydropyridine- (or 4-hydroxypiperidine) alkylpyrroles active at sigma and/or 5HTIA receptors ESTEVE S A LAB DE DR (ES) 1997-11-26 CN 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