SCHEMBL29680745

SCHEMBL29680745

C[C@@H]1OCCN(Cc2ccccc2)[C@H]1CO

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 3/20 0.54
DRD2 P14416 3/20 0.44
DRD3 P35462 3/20 0.44
SIGMAR1 Q99720 2/20 0.42
MAPT P10636 1/20 0.42
ACHE P22303 1/20 0.41
DRD4 P21917 1/20 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
SCHEMBL15367595 1.00 GBA1 (0.54) GBA1DRD2DRD3SIGMAR1MAPT
SCHEMBL15817773 0.87 ACHE (0.41) GBA1SIGMAR1MAPTACHEDRD4
SCHEMBL24532601 0.86 DRD4 (0.43) GBA1DRD2DRD3SIGMAR1MAPT
SCHEMBL29090896 0.86 DRD4 (0.43) GBA1DRD2DRD3SIGMAR1MAPT
SCHEMBL24532342 0.86 DRD4 (0.43) GBA1DRD2DRD3SIGMAR1MAPT
SCHEMBL29090894 0.86 DRD4 (0.43) GBA1DRD2DRD3SIGMAR1MAPT
SCHEMBL17314312 0.81 ACHE (0.45) DRD2DRD3SIGMAR1MAPTACHE
SCHEMBL15921453 0.81 ACHE (0.45) DRD2DRD3SIGMAR1MAPTACHE
SCHEMBL17314984 0.81 ACHE (0.45) DRD2DRD3SIGMAR1MAPTACHE
SCHEMBL15921452 0.81 ACHE (0.45) DRD2DRD3SIGMAR1MAPTACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4263535-A1 N-(2-(4-CYANOTHIAZOLIDIN-3-YL)-2-OXOETHYL)- QUINOLINE-4-CARBOXAMIDES Astrazeneca AB (SE) 2023-10-25 EP disclosed
CN-116745291-A N- (2- (4-cyanothiazolidin-3-yl) -2-oxoethyl) -quinoline-4-carboxamide 阿斯利康(瑞典)有限公司 2023-09-12 CN disclosed
WO-2022130270-A1 N-(2-(4-CYANOTHIAZOLIDIN-3-YL)-2-OXOETHYL)- QUINOLINE-4-CARBOXAMIDES ASTRAZENECA AB (SE) 2022-06-23 WO disclosed