SCHEMBL26133569

SCHEMBL26133569

[N-]=[N+]=NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(N)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 2/20 0.41
▸ NOS1 P29475 2/20 0.41
▸ NOS2 P35228 2/20 0.41
▸ OTC P00480 1/20 0.38
▸ GRM8 O00222 1/20 0.36
▸ GRM6 O15303 1/20 0.36
▸ GRIN2D O15399 1/20 0.36
▸ GRIN3B O60391 1/20 0.36
▸ GSR P00390 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ GRIK1 P39086 1/20 0.36
▸ GRM5 P41594 1/20 0.36
▸ GRIA1 P42261 1/20 0.36
▸ GRIA2 P42262 1/20 0.36
▸ GRIA3 P42263 1/20 0.36
▸ SLC1A3 P43003 1/20 0.36
▸ SLC1A2 P43004 1/20 0.36
▸ SLC1A1 P43005 1/20 0.36
▸ GRIA4 P48058 1/20 0.36
▸ GRIN1 Q05586 1/20 0.36

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
SCHEMBL26133563 1.00 NOS3 (0.41) NOS3NOS1NOS2OTCGRM8
SCHEMBL25360834 0.94 NOS3 (0.40) NOS3NOS1NOS2OTCGRM8
SCHEMBL25360824 0.94 NOS3 (0.40) NOS3NOS1NOS2OTCGRM8
SCHEMBL25841802 0.93 GLP1R (0.43) NOS3NOS1NOS2OTCNOD1
SCHEMBL31297097 0.90 MEN1 (0.38) CRBNKMT2ALTA4HNOD1GLP1R
SCHEMBL30980666 0.88 CRBN (0.37) CRBNKMT2AGLP1RCA12CA1
SCHEMBL20871341 0.86 NOS2 (0.43) NOS3NOS1NOS2OTCCYP1A2
SCHEMBL24610028 0.85 OTC (0.44) NOS2OTCGRM8GRM6GRIN2D
SCHEMBL15469244 0.85 OTC (0.44) NOS2OTCGRM8GRM6GRIN2D
SCHEMBL24906687 0.83 MEN1 (0.33) CRBNKMT2ACA12CA1CA2

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-2023069994-A1 IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-04-27 — — WO disclosed
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