SCHEMBL6989097

SCHEMBL6989097

O=C1Cc2c(ccc3c2OC(CN2CCC(c4noc5cc(F)ccc45)CC2)CO3)N1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.49
DRD2 P14416 7/20 0.49
HTR2A P28223 6/20 0.49
HTR1A P08908 1/20 0.49
DRD1 P21728 1/20 0.49
DRD3 P35462 1/20 0.49
HTR6 P50406 1/20 0.49
ACHE P22303 2/20 0.49
SLC6A4 P31645 1/20 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
SCHEMBL8320229 0.87 DRD2 (0.48) DRD2HTR2AHTR1ASLC6A4
SCHEMBL1545123 0.79 HTR2A (0.60) HTR2CDRD2HTR2ADRD3ACHE
SCHEMBL6990695 0.76 DRD2 (0.48) HTR2CDRD2HTR2AHTR6SLC6A4
SCHEMBL1545818 0.76 ACHE (0.72) HTR2CDRD2HTR2AACHESLC6A4
SCHEMBL1545271 0.76 DRD2 (0.61) HTR2CDRD2HTR2AHTR1ADRD1
SCHEMBL9683993 0.73 ACHE (0.62) HTR2CDRD2HTR2AACHESLC6A4
SCHEMBL9133222 0.73 DRD2 (0.61) HTR2CDRD2HTR2AHTR1ADRD1
SCHEMBL9683889 0.71 DRD2 (0.61) HTR2CDRD2HTR2AHTR1AACHE
Fumaric Acid SCHEMBL1545971 0.71 ACHE (0.61) DRD2HTR2AACHESLC6A4
Fumaric Acid SCHEMBL1545969 0.71 ACHE (0.61) DRD2HTR2AACHESLC6A4

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-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-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