SCHEMBL22018097

SCHEMBL22018097

CCNC(=O)c1cc[n+](CCC(N)C(=O)O)nc1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.34
MAPK14 Q16539 3/20 0.34
OPRD1 P41143 2/20 0.33
GRM8 O00222 2/20 0.32
GRM4 Q14833 2/20 0.32
EPHX2 P34913 1/20 0.32
HPGDS O60760 1/20 0.32
SLC7A5 Q01650 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.31

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
Trifluoroacetic Acid SCHEMBL28636930 0.93 GABRA5 (0.33) CASRMAPK14GRM8GRM4EPHX2
Trifluoroacetic Acid SCHEMBL28636927 0.92 GABRA5 (0.33) MAPK14
SCHEMBL22018291 0.88 HPGDS (0.35) MAPK14HPGDS
SCHEMBL22018105 0.88 HPGDS (0.35) MAPK14HPGDS
SCHEMBL22018303 0.88 SLC7A5 (0.43) CASRGRM8GRM4SLC7A5
SCHEMBL22018287 0.82 KMT2A (0.35) GRM8GRM4SLC7A5
SCHEMBL28636921 0.82 GABRA5 (0.32)
Trifluoroacetic Acid SCHEMBL21964011 0.81 HDAC4 (0.34) CASRMAPK14OPRD1EPHX2HPGDS
SCHEMBL22018099 0.81 MAPK1 (0.35) MAPK14OPRD1HPGDS
SCHEMBL22018680 0.79 MAPK1 (0.39) MAPK14HPGDS

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-2020099367-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-05-22 WO disclosed