SCHEMBL2874457

SCHEMBL2874457

FC(F)(F)c1cccc(/C=C/CNCCc2cccc3ccccc23)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HPGD P15428 1/20 0.42
TRPV1 Q8NER1 1/20 0.39
NFE2L2 Q16236 1/20 0.39
APAF1 O14727 1/20 0.39
IDE P14735 1/20 0.39
PAX8 Q06710 1/20 0.39
ADRA2C P18825 3/20 0.39
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 3/20 0.39
HTT P42858 3/20 0.39
HTR2C P28335 2/20 0.39
OPRM1 P35372 2/20 0.39
DRD3 P35462 2/20 0.39
CASR P41180 2/20 0.39
CYP2D6 P10635 2/20 0.39
DRD2 P14416 2/20 0.39
SLC6A3 Q01959 2/20 0.39
KCNH2 Q12809 2/20 0.39

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
SCHEMBL2787298 1.00 MEN1 (0.44) MEN1KMT2AHPGDTRPV1NFE2L2
Hydrochloric Acid SCHEMBL2787295 0.99 MEN1 (0.43) MEN1KMT2AHPGDTRPV1NFE2L2
Hydrochloric Acid SCHEMBL2872916 0.99 MEN1 (0.43) MEN1KMT2AHPGDTRPV1NFE2L2
SCHEMBL15571660 0.84 SIGMAR1 (0.51) MEN1KMT2AHPGDADRA2CSLC6A2
SCHEMBL4730665 0.79 MEN1 (0.53) MEN1KMT2AHPGDTRPV1HTT
SCHEMBL16212524 0.75 ADRA2C (0.60) MEN1KMT2AHPGDAPAF1IDE
Hydrochloric Acid SCHEMBL1504932 0.74 SIGMAR1 (0.60) MEN1KMT2AHPGDAPAF1IDE
SCHEMBL20921209 0.74 RAB9A (0.49) MEN1KMT2AHPGDNFE2L2HTT
SCHEMBL1491268 0.74 CASR (0.58) MEN1KMT2ANFE2L2ADRA2CSLC6A2
SCHEMBL1331216 0.74 CASR (0.58) MEN1KMT2ANFE2L2ADRA2CSLC6A2

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-2398763-A2 PROCESS FOR PREPARING CINACALCET HYDROCHLORIDE ZaCh System S.p.A. (IT) 2011-12-28 EP disclosed
WO-2010094674-A2 PROCESS FOR PREPARING CINACALCET HYDROCHLORIDE ZACH SYSTEM S.P.A. (IT) 2010-08-26 WO disclosed