SCHEMBL31369271

SCHEMBL31369271

CN(CC(=O)O)C(=O)[C@@H](N)CCCCNC(=N)N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.42
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
DPP4 P27487 1/20 0.38
DPP9 Q86TI2 1/20 0.38
DPP7 Q9UHL4 2/20 0.38
GNAI3 P08754 1/20 0.37
GNAO1 P09471 1/20 0.37
GNAI1 P63096 1/20 0.37
ALOX15 P16050 1/20 0.34
NPY4R P50391 4/20 0.34
NPY1R P25929 3/20 0.34
NPY2R P49146 2/20 0.34
NPY5R Q15761 2/20 0.34
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RRM1 P23921 1/20 0.33
ITGB3 P05106 3/20 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
SCHEMBL27484223 0.96 NOS2 (0.43) NOS2NOS3NOS1DPP4DPP9
SCHEMBL27484222 0.96 NOS2 (0.43) NOS2NOS3NOS1DPP4DPP9
Arginine SCHEMBL1886681 0.82 NOS2 (0.58) NOS2NOS3NOS1MEN1CYP1A2
Arginine SCHEMBL7943591 0.82 NOS2 (0.58) NOS2NOS3NOS1MEN1CYP1A2
SCHEMBL9952947 0.79 NOS3 (0.41) NOS2NOS3NOS1DPP7GNAI3
SCHEMBL27382578 0.79 NOS3 (0.41) NOS2NOS3NOS1DPP7GNAI3
SCHEMBL27888578 0.79 GSR (0.50) NOS2NOS3NOS1ALOX15CYP1A2
Arginine SCHEMBL27682442 0.78 NOS2 (0.53) NOS2NOS3NOS1MEN1CYP1A2
Hydrochloric Acid SCHEMBL8063762 0.78 NOS3 (0.41) NOS2NOS3NOS1DPP7GNAI3
SCHEMBL9614818 0.78 NOS3 (0.39) NOS2NOS3NOS1DPP4DPP9

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
CN-115728451-B Fault determination method, device, equipment and medium of gas monitoring device 国网江苏省电力有限公司 2025-01-14 CN disclosed