SCHEMBL22914459

SCHEMBL22914459

CC(=N)CCCNC(=O)NCCCC[C@H](N)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.43
OTC P00480 1/20 0.43
NOD1 Q9Y239 2/20 0.43
NOS2 P35228 6/20 0.43
NOS1 P29475 5/20 0.43
NOS3 P29474 4/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
BLM P54132 1/20 0.42
DPP7 Q9UHL4 1/20 0.41
MEN1 O00255 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
FOLH1 Q04609 1/20 0.40
ARG1 P05089 3/20 0.40
ARG2 P78540 3/20 0.40

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
L-Nil SCHEMBL322091 0.82 ARG2 (0.50) GSROTCNOD1NOS2NOS1
L-Nil SCHEMBL934874 0.82 ARG2 (0.50) GSROTCNOD1NOS2NOS1
L-Nil SCHEMBL31540966 0.82 ARG2 (0.50) GSROTCNOD1NOS2NOS1
SCHEMBL14233369 0.82 NOS2 (0.54) GSRNOD1NOS2NOS1NOS3
SCHEMBL16577957 0.82 NOS2 (0.54) GSRNOD1NOS2NOS1NOS3
SCHEMBL20192908 0.81 DPP7 (0.49) GSROTCNOD1NOS2NOS1
L-Nil SCHEMBL7977021 0.81 ARG2 (0.51) GSROTCNOS2NOS1NOS3
L-Nil SCHEMBL7974005 0.81 ARG2 (0.51) GSROTCNOS2NOS1NOS3
SCHEMBL8065968 0.81 NOS2 (0.50) GSROTCNOD1NOS2NOS1
L-Nil SCHEMBL1321685 0.81 ARG2 (0.51) GSROTCNOS2NOS1NOS3

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
US-20210024935-A1 Read Through Of Truncated Proteins In Premature Termination Codon Diseases Using An Optimized Genetic Codon Expansion System PEKING UNIVERSITY (CN) 2021-01-28 US disclosed