SCHEMBL8181124

SCHEMBL8181124

CCCCCCCCCCCCN1CC(CO)C(O)C(OCc2ccccc2)C1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 8/20 0.54
PYGL P06737 1/20 0.52
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
KCNH2 Q12809 2/20 0.43
GUSB P08236 2/20 0.42
UGCG Q16739 2/20 0.42
GBA2 Q9HCG7 2/20 0.42
GAA P10253 2/20 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
SCHEMBL8187378 1.00 GBA1 (0.54) GBA1PYGLBCHEACHEKCNH2
SCHEMBL8185201 0.95 PYGL (0.54) GBA1PYGLBCHEACHE
SCHEMBL8176411 0.87 PYGL (0.69) GBA1PYGLKCNH2GAA
SCHEMBL8172188 0.86 GBA1 (0.58) GBA1PYGLUGCGGBA2GAA
SCHEMBL403643 0.82 GBA1 (0.66) GBA1PYGL
SCHEMBL2454394 0.82 GBA1 (0.66) GBA1PYGL
SCHEMBL440211 0.82 GBA1 (0.66) GBA1PYGL
SCHEMBL8181071 0.81 PYGL (0.49) GBA1PYGLUGCGGBA2
SCHEMBL8187072 0.80 GBA1 (0.47) GBA1PYGLUGCGGBA2GAA
SCHEMBL14388983 0.79 GBA1 (0.59) GBA1PYGL

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0983239-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 2000-03-08 EP disclosed
WO-1998050359-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1998-11-12 WO disclosed