SCHEMBL6991545

SCHEMBL6991545

O=C1Cc2c(ccc3c2OC(CN2CCN(c4cccc5[nH]ccc45)CC2)CO3)N1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.49
HTR1A P08908 2/20 0.49
SLC6A4 P31645 4/20 0.45
ADRA1D P25100 3/20 0.45
ADRA1A P35348 3/20 0.45
ADRA1B P35368 3/20 0.45
DRD4 P21917 2/20 0.42
DRD3 P35462 2/20 0.42
GAA P10253 3/20 0.41
MAPT P10636 1/20 0.40
GOT1 P17174 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
MEN1 O00255 1/20 0.39
GFER P55789 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR2A P28223 1/20 0.39
ADRB1 P08588 1/20 0.38
HTR6 P50406 1/20 0.38

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
SCHEMBL6993728 0.75 DRD2 (0.48) DRD2HTR1ASLC6A4ADRA1DADRA1A
SCHEMBL6994156 0.73 DRD2 (0.50) DRD2HTR1ASLC6A4ADRA1DADRA1A
SCHEMBL6991016 0.73 DRD2 (0.60) DRD2HTR1ASLC6A4ADRA1DADRA1A
SCHEMBL6994776 0.73 SLC6A4 (0.46) DRD2HTR1ASLC6A4ADRA1DADRA1A
SCHEMBL6991007 0.72 HTR1A (0.70) DRD2HTR1AADRA1DADRA1AADRA1B
SCHEMBL8122818 0.70 DRD2 (0.42) DRD2SLC6A4ADRA1DADRA1AADRA1B
SCHEMBL13243255 0.70 DRD2 (0.42) DRD2SLC6A4ADRA1DADRA1AADRA1B
SCHEMBL13222379 0.70 DRD2 (0.42) DRD2HTR1ASLC6A4ADRA1DADRA1A
SCHEMBL3032145 0.70 DRD2 (0.42) DRD2SLC6A4ADRA1DADRA1AADRA1B
SCHEMBL3026960 0.70 DRD2 (0.42) DRD2SLC6A4ADRA1DADRA1AADRA1B

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