SCHEMBL5014848

SCHEMBL5014848

CC(C)C(N)(CC=O)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 2/20 0.46
ARG2 P78540 1/20 0.46
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
ODC1 P11926 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GRM2 Q14416 1/20 0.30
GRM3 Q14832 1/20 0.30

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
SCHEMBL1915859 0.85 ARG1 (0.37) ARG1ARG2NOS3NOS1NOS2
SCHEMBL1916739 0.80 ARG1 (0.34) ARG1ARG2NOS3NOS1NOS2
SCHEMBL5004419 0.79 ARG1 (0.51) ARG1ARG2NOS3NOS1NOS2
SCHEMBL14764492 0.79 ARG1 (0.33) ARG1ARG2ODC1
SCHEMBL1916171 0.78 TSHR (0.33) ARG1ARG2ODC1KDM4ELMNA
SCHEMBL16728201 0.75 ARG1 (0.31) ARG1ARG2
SCHEMBL8714547 0.75 CYP2D6 (0.41) CYP1A2CYP2D6SMN1; SMN2GRM2GRM3
SCHEMBL2419413 0.75 SLC1A3 (0.31) ARG1ARG2ODC1
SCHEMBL2129918 0.75 ARG1 (0.50) ARG1ARG2NOS3NOS1NOS2
SCHEMBL1515330 0.75 ARG1 (0.50) ARG1ARG2NOS3NOS1NOS2

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-1984355-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION Takeda Pharmaceutical Company Limited (JP) 2008-10-29 EP disclosed
WO-2007094513-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-23 WO disclosed