SCHEMBL6991345

SCHEMBL6991345

O=C1Cc2c(c(F)cc3c2OC(CN2CCC(c4c[nH]c5ccccc45)CC2)CO3)N1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.43
SLC6A4 P31645 4/20 0.42
HTR1A P08908 3/20 0.41
DRD2 P14416 3/20 0.41
HTR7 P34969 3/20 0.41
HTR6 P50406 3/20 0.41
ADRA1D P25100 3/20 0.41
KMT2A Q03164 1/20 0.41
PARP1 P09874 1/20 0.41
CYP2D6 P10635 1/20 0.40
HTR2A P28223 2/20 0.40

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
SCHEMBL6996395 0.81 HTR1A (0.57) SLC6A4HTR1ADRD2HTR2A
SCHEMBL6994370 0.76 DRD2 (0.40) SLC6A4HTR1ADRD2HTR7ADRA1D
SCHEMBL5957061 0.75 MAPT (0.49) SLC6A4HTR1ADRD2KMT2AHTR2A
SCHEMBL6627997 0.71 HTR1A (0.55) SLC6A4HTR1AADRA1DCYP2D6
SCHEMBL6627993 0.71 HTR1A (0.67) SLC6A4HTR1ADRD2
SCHEMBL5957135 0.69 DRD2 (0.51) DRD2KMT2A
SCHEMBL6961404 0.68 CYP2D6 (0.48) SLC6A4HTR1ADRD2HTR7HTR6
SCHEMBL5527597 0.67 CYP2D6 (0.52) SLC6A4ADRA1DKMT2ACYP2D6
SCHEMBL14463200 0.67 OPRM1 (0.62) SLC6A4HTR1ADRD2HTR7HTR6
SCHEMBL5957055 0.66 ALDH1A1 (0.55) SLC6A4HTR1ADRD2CYP2D6HTR2A

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