SCHEMBL2320344

SCHEMBL2320344

O=[C]C1CC1c1ccc(F)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.40
SLC6A3 Q01959 3/20 0.40
KCNH2 Q12809 3/20 0.40
SLC6A4 P31645 2/20 0.40
CYP2D6 P10635 1/20 0.40
TP53 P04637 1/20 0.37
MDM2 Q00987 1/20 0.37
HTR7 P34969 1/20 0.37
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
IDO1 P14902 3/20 0.35
TDO2 P48775 2/20 0.35
KDM1A O60341 4/20 0.34
KDM1B Q8NB78 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
KAT2B Q92831 1/20 0.33
ABCC9 O60706 1/20 0.33

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
SCHEMBL2359698 0.78 KDM1A (0.46) HTR2AHTR2CHTR2BKDM1AABCC9
SCHEMBL2326665 0.77 SLC6A2 (0.42) SLC6A2SLC6A3KCNH2SLC6A4HTR2A
SCHEMBL2320349 0.75 SLC6A2 (0.41) SLC6A2SLC6A3KCNH2SLC6A4CYP2D6
SCHEMBL2360387 0.74 KDM1A (0.52) SLC6A2SLC6A3SLC6A4HTR2AHTR2C
SCHEMBL24737999 0.72 FFAR1 (0.49) IDO1
SCHEMBL29879365 0.72 FFAR1 (0.49) IDO1
SCHEMBL25005218 0.70 KCNH2 (0.40) SLC6A2SLC6A3KCNH2SLC6A4CYP2D6
SCHEMBL23995530 0.70 HTR2A (0.49) SLC6A2SLC6A3KCNH2SLC6A4CYP2D6
SCHEMBL3147823 0.69 KDM1A (0.44) SLC6A2SLC6A3KCNH2SLC6A4CYP2D6
SCHEMBL15517647 0.69 SLC6A2 (0.56) SLC6A2SLC6A3KCNH2SLC6A4CYP2D6

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-2011094890-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS ARGUSINA INC. (US) 2011-08-11 WO disclosed