SCHEMBL6867188

SCHEMBL6867188

Cc1cccc(C(Cl)CCN[C@H](C)c2cccc3ccccc23)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 6/20 0.45
SLC6A4 P31645 5/20 0.45
SLC6A2 P23975 4/20 0.45
OPRM1 P35372 3/20 0.45
DRD3 P35462 3/20 0.45
ADRA2C P18825 2/20 0.45
HTR2C P28335 2/20 0.45
ADORA3 P0DMS8 2/20 0.45
CYP2D6 P10635 2/20 0.45
CHRM1 P11229 2/20 0.45
SLC6A3 Q01959 2/20 0.45
KCNH2 Q12809 2/20 0.45
MLNR O43193 1/20 0.45
ABCB11 O95342 1/20 0.45
ADRB1 P08588 1/20 0.45
DRD2 P14416 1/20 0.45
CHRM3 P20309 1/20 0.45
GLRA1 P23415 1/20 0.45
AVPR2 P30518 1/20 0.45
HRH1 P35367 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
SCHEMBL6867694 0.85 CASR (0.45) CASRSLC6A4SLC6A2OPRM1DRD3
SCHEMBL1491263 0.84 CASR (0.63) CASRSLC6A4SLC6A2OPRM1DRD3
SCHEMBL1491267 0.84 CASR (0.63) CASRSLC6A4SLC6A2OPRM1DRD3
SCHEMBL6868488 0.84 CASR (0.63) CASRSLC6A4SLC6A2OPRM1DRD3
SCHEMBL6221120 0.79 SLC6A4 (0.64) CASRSLC6A4SLC6A2OPRM1DRD3
SCHEMBL13965847 0.77 CASR (0.52) CASRSLC6A4SLC6A2OPRM1DRD3
SCHEMBL5473697 0.77 CASR (0.57) CASRSLC6A4SLC6A2OPRM1DRD3
SCHEMBL5473700 0.77 CASR (0.57) CASRSLC6A4SLC6A2OPRM1DRD3
SCHEMBL6868490 0.75 CASR (0.71) CASRSLC6A4SLC6A2OPRM1DRD3
SCHEMBL15131364 0.72 CASR (0.49) CASRSLC6A4SLC6A2OPRM1DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011029833-A1 PROCESS FOR PREPARING CINACALCET ZACH SYSTEM S.P.A. (IT) 2011-03-17 WO disclosed