SCHEMBL6993728

SCHEMBL6993728

O=C1Cc2c(ccc3c2OC(CN2CCN(c4nsc5ccccc45)CC2)CO3)N1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.48
HTR2A P28223 8/20 0.48
ADRA1A P35348 4/20 0.48
KCNH2 Q12809 3/20 0.48
ADRA1D P25100 3/20 0.48
SLC6A4 P31645 3/20 0.48
ADRA1B P35368 3/20 0.48
HTR1A P08908 3/20 0.48
HTR7 P34969 3/20 0.48
ADRA2C P18825 3/20 0.48
HTR6 P50406 2/20 0.48
ABCB11 O95342 2/20 0.48
CHRM2 P08172 2/20 0.48
ADRA2A P08913 2/20 0.48
ADORA3 P0DMS8 2/20 0.48
ADRA2B P18089 2/20 0.48
DRD1 P21728 2/20 0.48
SLC6A2 P23975 2/20 0.48
HTR2C P28335 2/20 0.48
HRH1 P35367 2/20 0.48

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
SCHEMBL10845076 0.80 ADRA2A (0.55) DRD2HTR2AADRA1AADRA1DADRA1B
SCHEMBL6991545 0.75 DRD2 (0.49) DRD2HTR2AADRA1AADRA1DSLC6A4
SCHEMBL6994156 0.75 DRD2 (0.50) DRD2HTR2AADRA1AADRA1DSLC6A4
SCHEMBL6994776 0.73 SLC6A4 (0.46) DRD2ADRA1AADRA1DSLC6A4ADRA1B
SCHEMBL6991007 0.71 HTR1A (0.70) DRD2HTR2AADRA1AADRA1DADRA1B
SCHEMBL6991016 0.71 DRD2 (0.60) DRD2HTR2AADRA1AADRA1DSLC6A4
Hydrochloric Acid SCHEMBL7099125 0.71 KCNH2 (0.71) DRD2HTR2AADRA1AKCNH2ADRA1D
SCHEMBL8320229 0.70 DRD2 (0.48) DRD2HTR2AADRA1AADRA1DSLC6A4
SCHEMBL3026960 0.70 DRD2 (0.42) DRD2HTR2AADRA1AADRA1DSLC6A4
SCHEMBL13222379 0.70 DRD2 (0.42) DRD2HTR2AADRA1AKCNH2ADRA1D

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
EP-0932609-B1 AZAHETEROCYCLYMETHYL DERIVATIVES OF 2,3,8,9-TETRAHYDRO-7H-1,4-DIOXINO 2,3-e]INDOL-8-ONE WYETH CORP (US) 2003-05-14 EP claimed
EP-0932609-A1 AZAHETEROCYCLYMETHYL DERIVATIVES OF 2,3,8,9-TETRAHYDRO-7H-1,4-DIOXINO 2,3-e]INDOL-8-ONE AMERICAN HOME PRODUCTS CORPORATION (US) 1999-08-04 EP claimed
WO-1998016530-A1 AZAHETEROCYCLYMETHYL DERIVATIVES OF 2,3,8,9-TETRAHYDRO-7H-1,4-DIOXINO[2,3-e]INDOL-8-ONE AMERICAN HOME PRODUCTS CORPORATION (US) 1998-04-23 WO claimed
EP-0932609-B1 AZAHETEROCYCLYMETHYL DERIVATIVES OF 2,3,8,9-TETRAHYDRO-7H-1,4-DIOXINO 2,3-e]INDOL-8-ONE WYETH CORP (US) 2003-05-14 EP disclosed