SCHEMBL470646

SCHEMBL470646

ON[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccccc1F

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.45
DRD3 P35462 2/20 0.45
FUCA1 P04066 2/20 0.44
KDM1A O60341 3/20 0.43
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
CHRM4 P08173 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ROCK2 O75116 1/20 0.41
SIGMAR1 Q99720 3/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
DPP4 P27487 1/20 0.40
ALDH1A1 P00352 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR5 Q9H228 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL13186638 0.87 DRD2 (0.50) DRD2DRD3FUCA1KDM1ASIGMAR1
SCHEMBL13186825 0.87 DRD2 (0.53) DRD2DRD3FUCA1SIGMAR1DPP4
SCHEMBL470519 0.87 DPP4 (0.48) DRD2DRD3FUCA1KDM1AKDM4E
SCHEMBL470568 0.85 NPSR1 (0.42) DRD2DRD3CHRM4SIGMAR1DPP4
SCHEMBL470773 0.83 DRD2 (0.41) DRD2DRD3FUCA1KDM1AKDM4E
SCHEMBL470753 0.81 KDM1A (0.55) DRD2DRD3FUCA1KDM1AS1PR1
SCHEMBL12064586 0.80 KDM1A (0.46) KDM1ACHRM4SIGMAR1GRIN2BALDH1A1
SCHEMBL14723602 0.79 DPP4 (0.61) DRD2DRD3FUCA1KDM1AKDM4E
SCHEMBL14730265 0.79 DPP4 (0.61) DRD2DRD3FUCA1KDM1AKDM4E
SCHEMBL14723600 0.79 DPP4 (0.61) DRD2DRD3FUCA1KDM1AKDM4E

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
WO-2013026587-A1 1,4 DISUBSTITUTED PYRROLIDINE - 3 - YL -AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2013-02-28 WO disclosed
WO-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed