SCHEMBL2712951

SCHEMBL2712951

CC(=N)NCCCCC[C@](C)(N)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 4/20 0.53
ARG2 P78540 3/20 0.53
GGT1 P19440 1/20 0.44
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
PAOX Q6QHF9 2/20 0.38
ADRA1A P35348 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
FFAR1 O14842 1/20 0.36
CPT2 P23786 1/20 0.36
EPHX1 P07099 3/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
ACLY P53396 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SPHK1 Q9NYA1 2/20 0.32

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
SCHEMBL28334310 1.00 ARG1 (0.53) ARG1ARG2GGT1KDM4EMAPK1
Hydrochloric Acid SCHEMBL2713261 0.98 ARG1 (0.51) ARG1ARG2GGT1KDM4EMAPK1
SCHEMBL2757819 0.98 ARG1 (0.54) ARG1ARG2GGT1KDM4EMAPK1
SCHEMBL29378890 0.84 KDM4E (0.54) ARG1ARG2GGT1KDM4EMAPK1
SCHEMBL28429572 0.81 ARG1 (0.53) ARG1ARG2GGT1KDM4EMAPK1
SCHEMBL31370370 0.81 ARG1 (0.53) ARG1ARG2GGT1KDM4EMAPK1
SCHEMBL202490 0.79 ARG1 (0.47) ARG1ARG2GGT1TDP1FFAR1
SCHEMBL161929 0.79 ARG1 (0.47) ARG1ARG2GGT1TDP1FFAR1
SCHEMBL6431682 0.79 ARG1 (0.47) ARG1ARG2GGT1TDP1FFAR1
SCHEMBL7909629 0.79 ARG1 (0.47) ARG1ARG2GGT1KDM4EMAPK1

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
EP-1534668-B1 CRYSTALLINE SOLID FORM OF (2S-5Z)-2-AMINO-7-(ETHANIMIDOYLAMINO)-2-METHYLHEPT-5-ENOIC ACID PHARMACIA CORP (US) 2012-05-02 EP disclosed