SCHEMBL6925587

SCHEMBL6925587

CC(=O)NC1CN(CC(=O)O)CC1NC(=N)N

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ OGA O60502 4/20 0.34
▸ ITGB3 P05106 3/20 0.33
▸ ITGA2B P08514 3/20 0.33
▸ PSEN1 P49768 3/20 0.33
▸ PSEN2 P49810 3/20 0.33
▸ APH1B Q8WW43 3/20 0.33
▸ NCSTN Q92542 3/20 0.33
▸ APH1A Q96BI3 3/20 0.33
▸ PSENEN Q9NZ42 3/20 0.33
▸ ALOX15 P16050 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ GRM6 O15303 2/20 0.31
▸ GRM2 Q14416 2/20 0.31
▸ GRM3 Q14832 2/20 0.31
▸ GRM8 O00222 1/20 0.31
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 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
SCHEMBL6925581 1.00 OGA (0.34) OGAITGB3ITGA2BPSEN1PSEN2
SCHEMBL6925602 1.00 OGA (0.34) OGAITGB3ITGA2BPSEN1PSEN2
SCHEMBL6926536 0.81 OGA (0.36) OGASMN1; SMN2NPSR1
SCHEMBL6926533 0.81 OGA (0.36) OGASMN1; SMN2NPSR1
SCHEMBL6926539 0.81 OGA (0.36) OGASMN1; SMN2NPSR1
SCHEMBL6923365 0.79 OGA (0.39) OGASMN1; SMN2NPSR1CYP2C9CYP2C19
SCHEMBL6923375 0.79 OGA (0.39) OGASMN1; SMN2NPSR1CYP2C9CYP2C19
SCHEMBL6924333 0.79 OGA (0.39) OGASMN1; SMN2NPSR1CYP2C9CYP2C19
SCHEMBL6923371 0.79 OGA (0.39) OGASMN1; SMN2NPSR1CYP2C9CYP2C19
SCHEMBL6924328 0.79 OGA (0.39) OGASMN1; SMN2NPSR1CYP2C9CYP2C19

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-6518299-B1 Trans-5-(1-Acetylamino-2-ethyl)butyl-1 -aminoiminomethylpyrrolidine-3-carboxylic acid BIOCRYST PHARMACEUTICALS, INC. 2003-02-11 — — US disclosed
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