SCHEMBL20443188

SCHEMBL20443188

CC1C(CO)OCCN1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.48
DRD3 P35462 4/20 0.48
GBA1 P04062 1/20 0.44
MAPT P10636 1/20 0.43
ACHE P22303 1/20 0.41
DRD4 P21917 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
HTR1A P08908 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
SCHEMBL26136376 1.00 DRD2 (0.48) DRD2DRD3GBA1MAPTACHE
SCHEMBL21193607 1.00 DRD2 (0.48) DRD2DRD3GBA1MAPTACHE
SCHEMBL26128448 1.00 DRD2 (0.48) DRD2DRD3GBA1MAPTACHE
SCHEMBL26126731 1.00 DRD2 (0.48) DRD2DRD3GBA1MAPTACHE
SCHEMBL8573261 0.87 ACHE (0.41) DRD2DRD3MAPTACHEDRD4
SCHEMBL15921453 0.83 ACHE (0.45) DRD2DRD3MAPTACHEDRD4
SCHEMBL15921452 0.83 ACHE (0.45) DRD2DRD3MAPTACHEDRD4
SCHEMBL17314313 0.83 ACHE (0.45) DRD2DRD3MAPTACHEDRD4
SCHEMBL17314312 0.83 ACHE (0.45) DRD2DRD3MAPTACHEDRD4
SCHEMBL17314984 0.83 ACHE (0.45) DRD2DRD3MAPTACHEDRD4

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-2018137619-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-08-02 WO disclosed