SCHEMBL3690804

SCHEMBL3690804

COC(=O)C1CC(=O)N(CC2COc3ccccc3O2)C1.COC(=O)C1CCN(CC2COc3ccccc3O2)C1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.48
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46

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
SCHEMBL567721 0.91 MTNR1A (0.47) DRD2ADRA2AADRA2BADRA2C
SCHEMBL567079 0.90 DRD2 (0.57) DRD2ADRA2AADRA2BADRA2CADRA1D
SCHEMBL566654 0.84 ADRA2A (0.57) DRD2ADRA2AADRA2BADRA2CADRA1D
Hydrochloric Acid SCHEMBL9692399 0.83 ADRA2A (0.56) DRD2ADRA2AADRA2BADRA2CADRA1D
SCHEMBL568215 0.75 DRD2 (0.52) DRD2ADRA2AADRA2BADRA2CADRA1D
Hydrochloric Acid SCHEMBL9692447 0.75 DRD2 (0.51) DRD2ADRA2AADRA2BADRA2CADRA1D
SCHEMBL566562 0.75 ALDH1A1 (0.59) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL10372041 0.74 ADRA2A (0.63) DRD2ADRA2AADRA2BADRA2CADRA1D
SCHEMBL8132707 0.74 DRD2 (0.58) DRD2ADRA2AADRA2BADRA2CADRA1D
SCHEMBL8131179 0.73 HTR1A (0.65) DRD2ADRA2AADRA2BADRA2CADRA1D

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
EP-2176252-A1 2, 3-DIHYDROBENZO[1, 4]DIOXIN-2-YLMETHYL DERIVATIVES AS ALPHA2C ANTAGONISTS FOR USE IN THE TREATMENT OF PERIPHERIC AND CENTRAL NERVOUS SYSTEME DISEASES ORION CORPORATION (FI) 2010-04-21 EP disclosed
WO-2009013390-A1 2, 3-DIHYDROBENZO[1, 4] DIOXIN-2-YLMETHYL DERIVATIVES AS ALPHA2C ANTAGONISTS FOR USE IN THE TREATMENT OF PERIPHERIC AND CENTRAL NERVOUS SYSTEME DISEASES ORION CORPORATION (FI) 2009-01-29 WO disclosed