Cinacalcet

Cinacalcet

SCHEMBL3227084

C[C@H](NCCCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CASR

The experimentally established mechanism targets of Cinacalcet. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR known ✓ P41180 5/20 1.00
ADRA2C P18825 3/20 1.00
SLC6A4 P31645 3/20 1.00
DRD3 P35462 3/20 1.00
HTR2C P28335 3/20 1.00
SLC6A2 P23975 2/20 1.00
OPRM1 P35372 2/20 1.00
CYP2D6 P10635 2/20 1.00
MLNR O43193 1/20 1.00
ABCB11 O95342 1/20 1.00
ADRB1 P08588 1/20 1.00
ADORA3 P0DMS8 1/20 1.00
CHRM1 P11229 1/20 1.00
DRD2 P14416 1/20 1.00
CHRM3 P20309 1/20 1.00
GLRA1 P23415 1/20 1.00
AVPR2 P30518 1/20 1.00
HRH1 P35367 1/20 1.00
MC3R P41968 1/20 1.00
HTT P42858 1/20 1.00

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
Cinacalcet SCHEMBL29360301 1.00 CASR (1.00) CASRADRA2CSLC6A4DRD3HTR2C
Cinacalcet SCHEMBL1901469 1.00 CASR (1.00) CASRADRA2CSLC6A4DRD3HTR2C
Cinacalcet SCHEMBL71876 1.00 CASR (1.00) CASRADRA2CSLC6A4DRD3HTR2C
Cinacalcet SCHEMBL29373418 1.00 CASR (1.00) CASRADRA2CSLC6A4DRD3HTR2C
Cinacalcet SCHEMBL30371982 1.00 CASR (1.00) CASRADRA2CSLC6A4DRD3HTR2C
Cinacalcet SCHEMBL1179140 0.99 CASR (1.00) CASRADRA2CSLC6A4DRD3HTR2C
Cinacalcet SCHEMBL195640 0.99 CASR (1.00) CASRADRA2CSLC6A4DRD3HTR2C
Cinacalcet SCHEMBL29364854 0.99 CASR (1.00) CASRADRA2CSLC6A4DRD3HTR2C
Cinacalcet SCHEMBL30482673 0.99 CASR (1.00) CASRADRA2CSLC6A4DRD3HTR2C
Cinacalcet SCHEMBL29363135 0.99 CASR (1.00) CASRADRA2CSLC6A4DRD3HTR2C

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010010359-A2 A PROCESS FOR THE PREPARATION OF CINACALCET AND ITS SALTS CILPA LIMITED (IN) 2010-01-28 WO claimed
EP-2406211-B1 A NEW METHOD FOR THE PREPARATION OF CINACALCET AND NEW INTERMEDIATES THEREOF MEGAFINE PHARMA P LTD (IN) 2018-06-27 EP disclosed
WO-2010010359-A3 A PROCESS FOR THE PREPARATION OF CINACALCET AND ITS SALTS CILPA LIMITED (IN) 2010-03-18 WO disclosed
WO-2010010359-A2 A PROCESS FOR THE PREPARATION OF CINACALCET AND ITS SALTS CILPA LIMITED (IN) 2010-01-28 WO disclosed
WO-2010010359-A2 A PROCESS FOR THE PREPARATION OF CINACALCET AND ITS SALTS CILPA LIMITED (IN) 2010-01-28 WO disclosed
WO-2010010359-A2 A PROCESS FOR THE PREPARATION OF CINACALCET AND ITS SALTS CILPA LIMITED (IN) 2010-01-28 WO disclosed