SCHEMBL13636190

SCHEMBL13636190

NC(CC(Cc1cccc(C(F)(F)F)c1)C(=O)O)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 6/20 0.64
SLC1A3 P43003 5/20 0.64
SLC1A2 P43004 5/20 0.64
HTR2A P28223 1/20 0.56
HTR2C P28335 1/20 0.56
HTR2B P41595 1/20 0.56
GRIK1 P39086 2/20 0.50
GRIK2 Q13002 1/20 0.50
PPARA Q07869 2/20 0.49
PPARG P37231 1/20 0.49
EPHX1 P07099 3/20 0.48
SLC1A5 Q15758 1/20 0.47
DPP4 P27487 1/20 0.46
DPP8 Q6V1X1 1/20 0.46
DPP9 Q86TI2 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
GRB2 P62993 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
SCHEMBL29478401 0.87 HTR2A (0.64) HTR2AHTR2CHTR2BPPARAPPARG
SCHEMBL503602 0.87 HTR2A (0.64) HTR2AHTR2CHTR2BPPARAPPARG
SCHEMBL44155 0.87 HTR2A (0.64) HTR2AHTR2CHTR2BPPARAPPARG
SCHEMBL44156 0.87 HTR2A (0.64) HTR2AHTR2CHTR2BPPARAPPARG
SCHEMBL29557134 0.87 HTR2A (0.64) HTR2AHTR2CHTR2BPPARAPPARG
Hydrochloric Acid SCHEMBL10584250 0.86 HTR2A (0.62) SLC1A1SLC1A3SLC1A2HTR2AHTR2C
Hydrochloric Acid SCHEMBL6775624 0.86 HTR2A (0.62) SLC1A1SLC1A3SLC1A2HTR2AHTR2C
Hydrochloric Acid SCHEMBL6775619 0.86 HTR2A (0.62) SLC1A1SLC1A3SLC1A2HTR2AHTR2C
SCHEMBL1816528 0.85 HTR2A (0.56) HTR2AHTR2CHTR2BPPARAPPARG
SCHEMBL12762359 0.83 SLC1A3 (0.67) SLC1A1SLC1A3SLC1A2GRIK1GRIK2

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-2009141079-A1 NOVEL [F-18]-LABELLED L-GLUTAMIC ACID AND L-GLUTAMINE DERIVATIVES (II), USE THEREOF AND METHOD FOR THEIR PRODUCTION BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-11-26 WO disclosed