SCHEMBL6867893

SCHEMBL6867893

Cc1cccc(C(=O)CCN[C@H](C)c2cccc3ccccc23)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 3/20 0.45
WNT3A P56704 3/20 0.45
CASR P41180 6/20 0.44
ADRA2C P18825 2/20 0.44
SLC6A2 P23975 2/20 0.44
HTR2C P28335 2/20 0.44
SLC6A4 P31645 2/20 0.44
OPRM1 P35372 2/20 0.44
DRD3 P35462 2/20 0.44
MLNR O43193 1/20 0.44
ABCB11 O95342 1/20 0.44
ADRB1 P08588 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CYP2D6 P10635 1/20 0.44
CHRM1 P11229 1/20 0.44
DRD2 P14416 1/20 0.44
CHRM3 P20309 1/20 0.44
GLRA1 P23415 1/20 0.44
AVPR2 P30518 1/20 0.44
HRH1 P35367 1/20 0.44

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
SCHEMBL15369318 0.85 CASR (0.49) CASRADRA2CSLC6A2HTR2CSLC6A4
SCHEMBL6868445 0.84 CASR (0.62) CTNNB1WNT3ACASRADRA2CSLC6A2
Hydrochloric Acid SCHEMBL1493965 0.83 CASR (0.62) CTNNB1WNT3ACASRADRA2CSLC6A2
Hydrochloric Acid SCHEMBL1493964 0.83 CASR (0.62) CTNNB1WNT3ACASRADRA2CSLC6A2
SCHEMBL14063803 0.77 CYP1A2 (0.50) CASRADRA2CSLC6A2HTR2CSLC6A4
SCHEMBL12391540 0.76 CTNNB1 (0.40) CTNNB1WNT3AOPRM1OPRK1EPHX2
SCHEMBL5473700 0.76 CASR (0.57) CASRADRA2CSLC6A2HTR2CSLC6A4
SCHEMBL5473697 0.76 CASR (0.57) CASRADRA2CSLC6A2HTR2CSLC6A4
SCHEMBL6867694 0.75 CASR (0.45) CASRADRA2CSLC6A2HTR2CSLC6A4
SCHEMBL6868490 0.74 CASR (0.71) CASRADRA2CSLC6A2HTR2CSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2475641-B1 PROCESS FOR PREPARING CINACALCET ZACH SYSTEM SPA (IT) 2013-11-06 EP disclosed
EP-2358659-B1 PROCESS FOR PREPARING CINACALCET ZACH SYSTEM SPA (IT) 2012-12-26 EP disclosed
WO-2011029833-A1 PROCESS FOR PREPARING CINACALCET ZACH SYSTEM S.P.A. (IT) 2011-03-17 WO disclosed