SCHEMBL31300278

SCHEMBL31300278

CC(C)(C)c1cnn(C(=O)C(N)CCC[C@H](N)C(=O)O)n1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ARG1 P05089 1/20 0.36
▸ NOS1 P29475 4/20 0.36
▸ GRIA1 P42261 1/20 0.35
▸ GRIA2 P42262 1/20 0.35
▸ GRIA3 P42263 1/20 0.35
▸ GRIA4 P48058 1/20 0.35
▸ GSR P00390 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ KIF11 P52732 3/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ NOS3 P29474 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ GRM2 Q14416 1/20 0.33
▸ GRM3 Q14832 1/20 0.33

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
SCHEMBL34467684 0.82 OTC (0.35) ARG1NOS1GRIA1GRIA2GRIA3
SCHEMBL31300267 0.76 NOS1 (0.43) NOS1KMT2APOLBTDP1KIF11
SCHEMBL31300261 0.75 ARG1 (0.37) ARG1NOS1GRIA1GRIA2GRIA3
SCHEMBL31300252 0.73 ARG1 (0.38) ARG1NOS1GRIA1GRIA2GRIA3
SCHEMBL31300285 0.73 LTA4H (0.40) ARG1NOS1KMT2APOLBTDP1
SCHEMBL31300269 0.73 TPH1 (0.37) ARG1NOS1KMT2APOLBTDP1
SCHEMBL31300264 0.72 NOS1 (0.34) ARG1NOS1GRIA1GRIA2GRIA3
SCHEMBL31300263 0.71 NOS1 (0.37) NOS1KMT2APOLBTDP1KIF11
SCHEMBL31300258 0.71 FYN (0.39) NOS1KMT2APOLBTDP1KIF11
SCHEMBL29291 0.65 GSR (0.71) ARG1NOS1GRIA1GRIA2GRIA3

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-119213061-A Cross-linked protein, method for producing the same and use thereof 纽约州立大学研究基金会 2024-12-27 — — CN disclosed
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