SCHEMBL28800888

SCHEMBL28800888

O=CC1CC(c2ccccc2)CCN1Cc1cnc2ccccn12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.41
DRD3 P35462 2/20 0.41
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
ERCC5 P28715 2/20 0.38
GGPS1 O95749 1/20 0.37
FDPS P14324 1/20 0.37
GRM2 Q14416 3/20 0.36
GPR84 Q9NQS5 1/20 0.35
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
CCR5 P51681 1/20 0.33
KCNH2 Q12809 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
DRD2 P14416 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
F10 P00742 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL27889765 0.89 DRD4 (0.40) DRD4DRD3HCRTR1HCRTR2ERCC5
SCHEMBL27889746 0.83 DRD4 (0.39) DRD4DRD3HCRTR1HCRTR2ERCC5
SCHEMBL28038611 0.81 DRD4 (0.40) DRD4DRD3HCRTR1HCRTR2ERCC5
SCHEMBL2360299 0.76 HCRTR1 (0.44) DRD4DRD3HCRTR1HCRTR2ERCC5
Hydrochloric Acid SCHEMBL3048178 0.75 HCRTR1 (0.43) DRD4DRD3HCRTR1HCRTR2ERCC5
SCHEMBL27889785 0.74 DRD4 (0.40) DRD4DRD3GRM2CCR5
SCHEMBL2360037 0.71 SRD5A1 (0.47) DRD4DRD3HCRTR1HCRTR2ERCC5
SCHEMBL28038276 0.71 DRD4 (0.38) DRD4DRD3HCRTR1HCRTR2ERCC5
SCHEMBL2749344 0.70 HPGD (0.56) DRD4DRD3HCRTR1HCRTR2ERCC5
SCHEMBL27538076 0.69 SLC18A3 (0.44)

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
CN-105142623-A Methods and compositions for improving cognitive function AGENEBIO INC 2015-12-09 CN disclosed
CN-103476255-A Methods and compositions for improving cognitive function UNIV JOHNS HOPKINS 2013-12-25 CN disclosed
CN-102905532-A Methods and compositions for improving cognitive function UNIV JOHNS HOPKINS 2013-01-30 CN disclosed