SCHEMBL4612931

SCHEMBL4612931

NCCC(c1cccc(C(F)(F)F)c1)c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.50
SLC6A2 P23975 5/20 0.50
PNMT P11086 1/20 0.47
IDO1 P14902 1/20 0.45
TDO2 P48775 1/20 0.45
SLC6A3 Q01959 3/20 0.45
ADRA2C P18825 2/20 0.45
HTR2C P28335 2/20 0.45
OPRM1 P35372 2/20 0.45
DRD3 P35462 2/20 0.45
CASR P41180 2/20 0.45
KCNH2 Q12809 2/20 0.45
HRH1 P35367 2/20 0.45
MLNR O43193 1/20 0.45
ABCB11 O95342 1/20 0.45
ADRB1 P08588 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CYP2D6 P10635 1/20 0.45
CHRM1 P11229 1/20 0.45
DRD2 P14416 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
SCHEMBL6000918 0.83 PNMT (0.60) SLC6A4SLC6A2PNMTIDO1TDO2
SCHEMBL6006319 0.83 SLC6A4 (0.64) SLC6A4SLC6A2HRH1HTR2ATAAR1
SCHEMBL365056 0.77 SLC6A4 (0.42) SLC6A4SLC6A2PNMTIDO1TDO2
SCHEMBL7289657 0.74 PNMT (0.50) SLC6A4SLC6A2PNMTIDO1TDO2
SCHEMBL9210534 0.74 PNMT (0.60) SLC6A4SLC6A2PNMTIDO1TDO2
SCHEMBL6867802 0.72 CASR (0.65) SLC6A4SLC6A2SLC6A3ADRA2CHTR2C
SCHEMBL14387381 0.71 SLC6A4 (0.48) SLC6A4SLC6A2PNMTIDO1TDO2
SCHEMBL14387383 0.71 SLC6A2 (0.48) SLC6A4SLC6A2IDO1TDO2SLC6A3
SCHEMBL27956998 0.70 CASR (0.44) SLC6A4SLC6A2PNMTSLC6A3ADRA2C
SCHEMBL6868488 0.70 CASR (0.63) SLC6A4SLC6A2SLC6A3ADRA2CHTR2C

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
EP-1928817-A1 PROCESS FOR THE PREPARATION OF CINACALCET BASE Teva Pharmaceutical Industries Ltd (IL) 2008-06-11 EP disclosed
EP-1915335-A2 PROCESS FOR THE PREPARATION OF CINACALCET BASE Teva Pharmaceutical Industries Ltd (IL) 2008-04-30 EP disclosed
EP-1881954-A2 PROCESS FOR PREPARING CINACALCET HYDROCHLORIDE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-01-30 EP disclosed
WO-2007127445-A2 PROCESS FOR THE PREPARATION OF CINACALCET BASE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-11-08 WO disclosed
WO-2007127449-A1 PROCESS FOR THE PREPARATION OF CINACALCET BASE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-11-08 WO disclosed
WO-2006125026-A2 PROCESS FOR PREPARING CINACALCET HYDROCHLORIDE TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2006-11-23 WO disclosed