SCHEMBL6994776

SCHEMBL6994776

O=C1Cc2c(ccc3c2OC(CN2CC=C(c4ccccc4)CC2)CO3)N1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.46
HTR1A P08908 2/20 0.46
DRD2 P14416 7/20 0.46
ADRA1D P25100 4/20 0.46
ADRA1A P35348 4/20 0.46
ADRA1B P35368 4/20 0.46
PARP1 P09874 3/20 0.41
DRD4 P21917 2/20 0.40
DRD3 P35462 2/20 0.40
HTR7 P34969 3/20 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
SCHEMBL6994156 0.82 DRD2 (0.50) SLC6A4HTR1ADRD2ADRA1DADRA1A
SCHEMBL6325397 0.79 HTR1A (0.49) SLC6A4HTR1ADRD2PARP1DRD4
SCHEMBL6991007 0.74 HTR1A (0.70) HTR1ADRD2ADRA1DADRA1AADRA1B
SCHEMBL6991545 0.73 DRD2 (0.49) SLC6A4HTR1ADRD2ADRA1DADRA1A
SCHEMBL6903037 0.73 HTR1A (0.76) SLC6A4HTR1ADRD2DRD4DRD3
SCHEMBL8122818 0.73 DRD2 (0.42) SLC6A4DRD2ADRA1DADRA1AADRA1B
SCHEMBL3032145 0.73 DRD2 (0.42) SLC6A4DRD2ADRA1DADRA1AADRA1B
SCHEMBL13222379 0.73 DRD2 (0.42) SLC6A4HTR1ADRD2ADRA1DADRA1A
SCHEMBL3026960 0.73 DRD2 (0.42) SLC6A4DRD2ADRA1DADRA1AADRA1B
SCHEMBL13243255 0.73 DRD2 (0.42) SLC6A4DRD2ADRA1DADRA1AADRA1B

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