SCHEMBL4664652

SCHEMBL4664652

FC(F)(F)c1cccc(CCC[AsH2])c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.62
MIF P14174 2/20 0.53
HDAC1 Q13547 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
IDO1 P14902 2/20 0.51
HTR2C P28335 3/20 0.50
HTR2B P41595 3/20 0.50
HTR2A P28223 2/20 0.50
ACP3 P15309 1/20 0.49
CYP2D6 P10635 2/20 0.48
SIGMAR1 Q99720 2/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48
DAO P14920 2/20 0.48
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL11383498 0.83 TAAR1 (0.65) TAAR1MIFHDAC1HDAC8IDO1
SCHEMBL81245 0.81 TAAR1 (0.62) TAAR1MIFHDAC1HDAC8IDO1
SCHEMBL21913967 0.81 TAAR1 (0.62) TAAR1MIFHDAC1HDAC8IDO1
SCHEMBL2090576 0.81 TAAR1 (0.62) TAAR1MIFHDAC1HDAC8IDO1
SCHEMBL386982 0.81 TAAR1 (0.62) TAAR1MIFHDAC1HDAC8IDO1
SCHEMBL1723183 0.81 TAAR1 (0.62) TAAR1MIFHDAC1HDAC8IDO1
SCHEMBL1045499 0.81 TAAR1 (0.62) TAAR1MIFHDAC1HDAC8IDO1
SCHEMBL1046263 0.81 TAAR1 (0.62) TAAR1MIFHDAC1HDAC8IDO1
SCHEMBL365289 0.81 TAAR1 (0.79) TAAR1MIFHDAC1HDAC8IDO1
SCHEMBL31543288 0.81 TAAR1 (0.62) TAAR1MIFHDAC1HDAC8IDO1

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 2 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
WO-2007127449-A1 PROCESS FOR THE PREPARATION OF CINACALCET BASE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-11-08 WO disclosed