SCHEMBL8285596

SCHEMBL8285596

CCCN(CC)CCc1cccc2c1CC(=O)N2

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 15/20 0.90
▸ DRD1 P21728 2/20 0.90
▸ DRD4 P21917 2/20 0.90
▸ DRD5 P21918 2/20 0.90
▸ DRD3 P35462 2/20 0.90
▸ HTR2A P28223 2/20 0.90
▸ KDM4E B2RXH2 1/20 0.90
▸ LMNA P02545 1/20 0.90
▸ CHRM2 P08172 1/20 0.90
▸ CYP3A4 P08684 1/20 0.90
▸ HTR1A P08908 1/20 0.90
▸ ADRA2A P08913 1/20 0.90
▸ CYP2D6 P10635 1/20 0.90
▸ CYP2C9 P11712 1/20 0.90
▸ ADRA2B P18089 1/20 0.90
▸ MAPK1 P28482 1/20 0.90
▸ CYP2C19 P33261 1/20 0.90
▸ ADRA1A P35348 1/20 0.90
▸ HRH1 P35367 1/20 0.90
▸ OPRM1 P35372 1/20 0.90

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
Ropinirole SCHEMBL35212 0.95 DRD2 (1.00) DRD2DRD1DRD4DRD5DRD3
Ropinirole SCHEMBL29374522 0.95 DRD2 (1.00) DRD2DRD1DRD4DRD5DRD3
Ropinirole SCHEMBL29278850 0.93 DRD2 (0.97) DRD2DRD1DRD4DRD5DRD3
Ropinirole SCHEMBL29366889 0.93 APEX1 (1.00) DRD2DRD1DRD4DRD5DRD3
Ropinirole SCHEMBL1787068 0.93 APEX1 (1.00) DRD2DRD1DRD4DRD5DRD3
Ropinirole SCHEMBL16044076 0.93 DRD2 (0.97) DRD2DRD1DRD4DRD5DRD3
Ropinirole SCHEMBL40760 0.93 APEX1 (1.00) DRD2DRD1DRD4DRD5DRD3
Ropinirole SCHEMBL4623647 0.93 APEX1 (1.00) DRD2DRD1DRD4DRD5DRD3
Ropinirole SCHEMBL678982 0.92 DRD2 (0.95) DRD2DRD1DRD4DRD5DRD3
Ropinirole SCHEMBL28937023 0.92 DRD2 (0.95) DRD2DRD1DRD4DRD5DRD3

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-2005080333-A1 PROCESS FOR PURIFICATION OF ROPINIROLE TORRENT PHARMACEUTICALS LTD (IN) 2005-09-01 — — WO disclosed
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