SCHEMBL5847004

SCHEMBL5847004

OC1(c2ccccc2)CCN(CCCCn2cc(-c3ccc(Cl)cc3)cn2)CC1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 4/20 0.58
CCR1 P32246 8/20 0.54
DRD2 P14416 3/20 0.53
OPRM1 P35372 1/20 0.51
OPRL1 P41146 1/20 0.51
SIGMAR1 Q99720 1/20 0.50
HTR1A P08908 2/20 0.49
DRD4 P21917 2/20 0.49
HTR2A P28223 2/20 0.49
DRD3 P35462 2/20 0.49
SLC6A4 P31645 1/20 0.49
HTR7 P34969 1/20 0.49

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
SCHEMBL5848148 0.88 CCR3 (0.58) CCR3CCR1DRD2OPRM1OPRL1
SCHEMBL5848812 0.84 CCR3 (0.59) CCR3CCR1DRD2SIGMAR1HTR1A
SCHEMBL5847342 0.76 CCR1 (0.53) CCR3CCR1DRD2HTR1ADRD4
SCHEMBL6160929 0.75 CCR1 (0.52) CCR3CCR1DRD2OPRM1OPRL1
SCHEMBL5846958 0.75 SIGMAR1 (0.63) DRD2SIGMAR1HTR1AHTR7
SCHEMBL8419526 0.74 MEN1 (0.52) DRD2HTR1ADRD4HTR2ADRD3
SCHEMBL7402253 0.74 CCR3 (1.00) CCR3CCR1DRD2OPRM1OPRL1
SCHEMBL5846990 0.74 SIGMAR1 (0.59) CCR3CCR1DRD2OPRM1OPRL1
Hydrochloric Acid SCHEMBL5847621 0.74 SIGMAR1 (0.61) SIGMAR1HTR1AHTR7
SCHEMBL5847405 0.74 ALDH1A1 (0.58) CCR3CCR1DRD2OPRM1HTR1A

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
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-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