SCHEMBL28516636

SCHEMBL28516636

CCCCN1CCC1c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA7 P36544 1/20 0.47
CHRNA4 P43681 1/20 0.47
RIPK1 Q13546 2/20 0.44
DRD1 P21728 2/20 0.44
DRD4 P21917 2/20 0.44
DRD5 P21918 2/20 0.44
DRD3 P35462 2/20 0.44
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR1A P08908 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL11938966 0.90 CHRNB2 (0.57) DRD2CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL28524395 0.89 DRD2 (0.54) DRD2CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL7797276 0.89 CHRNB2 (0.51) DRD2CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL6798137 0.87 CHRNB2 (0.50) DRD2CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL10438852 0.85 CFB (0.48) DRD2CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL28309573 0.84 CHRNB2 (0.50) DRD2CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL27979543 0.82 DRD2 (0.42) DRD2CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL11938944 0.82 MAPK1 (0.42) DRD2DRD1DRD4DRD5DRD3
SCHEMBL16474296 0.82 RIPK1 (0.53) DRD2CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL11938963 0.82 CHRNA7 (0.47) DRD2CHRNB2CHRNB4CHRNA3CHRNA7

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
CN-108554456-B Application of rare earth imidazolium salt compound as catalyst 苏州大学 2021-02-12 CN claimed
CN-108554456-B Application of rare earth imidazolium salt compound as catalyst 苏州大学 2021-02-12 CN disclosed