SCHEMBL31070628

SCHEMBL31070628

c1ccc2c(c1)CNC2c1cccc2ccoc12

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
DRD1 P21728 3/20 0.36
EED O75530 1/20 0.35
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
DRD5 P21918 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL31070671 0.72 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3DRD1DRD2
SCHEMBL7393943 0.69 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3DRD1EED
SCHEMBL28510391 0.69 CHRM5 (0.49) SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4
SCHEMBL7705422 0.69 SMN1; SMN2 (0.44) SLC6A2SLC6A4SLC6A3
SCHEMBL23442881 0.68 HTR2C (0.47) SLC6A2SLC6A4SLC6A3EED
SCHEMBL27741885 0.68 DRD1 (0.38) CHRNB2CHRNA4DRD1DRD2DRD4
SCHEMBL31444391 0.67 CHRNB2 (0.44) SLC6A3CHRNB2CHRNA4
SCHEMBL4301574 0.67 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3DRD1
SCHEMBL31444334 0.67 PRCP (0.42) CHRNB2CHRNA4
Methylamine SCHEMBL27463238 0.67 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3DRD1EED

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
CN-118515600-A Isoindoline compound and medical application thereof 中国科学院上海药物研究所 2024-08-20 CN disclosed