SCHEMBL16693108

SCHEMBL16693108

FC(F)(F)C1COc2ccc(Br)cc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
KDM1A O60341 4/20 0.38
HCRTR2 O43614 1/20 0.38
CYP19A1 P11511 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
BLM P54132 1/20 0.37
ADRA2A P08913 2/20 0.37
P2RY6 Q15077 1/20 0.35
AHR P35869 1/20 0.35
PNMT P11086 1/20 0.35
KDM1B Q8NB78 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL7148065 0.74 LTB4R (0.44) DRD2DRD3CYP19A1
SCHEMBL22439161 0.73 DRD2 (0.43) DRD2DRD3KDM1AHCRTR2CYP19A1
SCHEMBL31136565 0.73 DRD2 (0.43) DRD2DRD3HCRTR2CYP19A1LMNA
SCHEMBL31603066 0.73 DRD2 (0.43) DRD2DRD3HCRTR2CYP19A1LMNA
SCHEMBL31603070 0.73 DRD2 (0.43) DRD2DRD3HCRTR2CYP19A1LMNA
SCHEMBL30015979 0.73 DRD2 (0.43) DRD2DRD3KDM1AHCRTR2CYP19A1
SCHEMBL29340304 0.73 DRD2 (0.43) DRD2DRD3KDM1AHCRTR2CYP19A1
SCHEMBL2610191 0.72 DRD2 (0.41) DRD2DRD3HCRTR2CYP19A1LMNA
SCHEMBL2610213 0.72 DRD2 (0.41) DRD2DRD3HCRTR2CYP19A1LMNA
SCHEMBL2112722 0.72 DRD2 (0.41) DRD2DRD3HCRTR2CYP19A1LMNA

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-2015066371-A1 SPIRO-OXADIAZOLINE COMPOUNDS AS AGONISTS OF α-7-NICOTINIC ACETYLCHOLINE RECEPTORS FORUM PHARMACEUTICALS, INC. (US) 2015-05-07 WO disclosed