SCHEMBL5848902

SCHEMBL5848902

Cc1nc(Cl)c(Cl)n1CCCCN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 9/20 0.54
OPRM1 P35372 8/20 0.53
OPRD1 P41143 3/20 0.53
ABCB11 O95342 1/20 0.53
TP53 P04637 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
PKM P14618 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
THPO P40225 1/20 0.53
MTOR P42345 1/20 0.53
EBP Q15125 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
KDM4E B2RXH2 1/20 0.52
PMP22 Q01453 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
OPRK1 P41145 4/20 0.49
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL5848271 0.85 SIGMAR1 (0.53) OPRL1SIGMAR1LMNADRD4CCR1
SCHEMBL5847174 0.81 DRD2 (0.57) OPRM1ABCB11CYP3A4CYP2D6TSHR
SCHEMBL5846508 0.80 CCR3 (0.56) DRD4CCR1DRD2DRD3HTR1A
SCHEMBL6159869 0.80 CCR1 (0.50) DRD4CCR1DRD2DRD3HTR1A
SCHEMBL8416352 0.80 SIGMAR1 (0.57) SIGMAR1DRD2DRD3HTR1AHTR7
SCHEMBL5846506 0.77 DRD2 (0.50) OPRL1OPRM1OPRD1SIGMAR1KDM4E
SCHEMBL5847140 0.77 OPRL1 (0.56) OPRL1OPRM1OPRD1ABCB11TP53
SCHEMBL5848048 0.74 OPRL1 (0.58) OPRL1OPRM1OPRD1ABCB11TP53
SCHEMBL5847783 0.74 HTR7 (0.51) SIGMAR1KDM4EHTR7
SCHEMBL18029400 0.74 OPRL1 (0.70) OPRL1OPRM1OPRD1ABCB11TP53

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 10 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-0828754-B1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER (US) 2005-02-02 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
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
EP-0828754-B1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER (US) 2005-02-02 EP disclosed
EP-0828754-A1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER INC. (US) 1998-03-18 EP disclosed
WO-1996038471-A1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER INC. (US) 1996-12-05 WO disclosed