SCHEMBL15323709

SCHEMBL15323709

CCCN(CCc1cccs1)[C@H]1CCc2ccccc2C1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.76
DRD3 P35462 9/20 0.76
DRD4 P21917 5/20 0.76
HTR1A P08908 2/20 0.72
ADRA2A P08913 1/20 0.72
ADORA3 P0DMS8 1/20 0.72
CHRM1 P11229 1/20 0.72
ADRA2B P18089 1/20 0.72
ADRA2C P18825 1/20 0.72
CNR1 P21554 1/20 0.72
DRD1 P21728 1/20 0.72
ACHE P22303 1/20 0.72
SLC6A2 P23975 1/20 0.72
HTR2A P28223 1/20 0.72
SLC6A4 P31645 1/20 0.72
ADRA1A P35348 1/20 0.72
PTGS2 P35354 1/20 0.72
HRH1 P35367 1/20 0.72
OPRM1 P35372 1/20 0.72
OPRD1 P41143 1/20 0.72

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
SCHEMBL9586560 0.87 DRD2 (1.00) DRD2DRD3DRD4HTR1AADRA2A
SCHEMBL1987776 0.85 DRD2 (0.86) DRD2DRD3DRD4HTR1AADRA2A
SCHEMBL1682779 0.85 DRD2 (0.86) DRD2DRD3DRD4HTR1AADRA2A
SCHEMBL29992240 0.85 DRD2 (0.86) DRD2DRD3DRD4HTR1AADRA2A
SCHEMBL31556291 0.85 DRD2 (0.86) DRD2DRD3DRD4HTR1AADRA2A
SCHEMBL25370930 0.84 DRD2 (0.65) DRD2DRD3DRD4HTR1AADRA2A
Rotigotine SCHEMBL9405994 0.84 DRD2 (1.00) DRD2DRD3DRD4HTR1AADRA2A
Rotigotine SCHEMBL1088585 0.84 DRD2 (1.00) DRD2DRD3DRD4HTR1AADRA2A
SCHEMBL2021960 0.84 HTR1A (0.84) DRD2DRD3DRD4HTR1AADRA2A
SCHEMBL2021032 0.84 HTR1A (0.84) DRD2DRD3DRD4HTR1AADRA2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016014242-A1 COMPOSITIONS COMPRISING BIOREVERSIBLE DERIVATIVES OF HYDROXY N-SUBSTITUTED-2-AMINOTETRALINS, DOSAGE FORMS, AND RELATED METHODS SPRIASO LLC (US) 2016-01-28 WO claimed
WO-2016014242-A1 COMPOSITIONS COMPRISING BIOREVERSIBLE DERIVATIVES OF HYDROXY N-SUBSTITUTED-2-AMINOTETRALINS, DOSAGE FORMS, AND RELATED METHODS SPRIASO LLC (US) 2016-01-28 WO disclosed
EP-2833875-A1 A DOPAMINE-AGONIST-CONTAINING TRANSDERMAL APPLICATION SYSTEM Acino AG (DE) 2015-02-11 EP disclosed
WO-2013150032-A1 A DOPAMINE-AGONIST-CONTAINING TRANSDERMAL APPLICATION SYSTEM ACINO AG (DE) 2013-10-10 WO disclosed