SCHEMBL8320229

SCHEMBL8320229

O=C1Cc2c(ccc3c2OC(CN2CCC(c4onc5cc(F)ccc45)CC2)CO3)N1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.48
SLC6A4 P31645 11/20 0.48
ADRA1D P25100 4/20 0.48
ADRA1A P35348 4/20 0.48
ADRA1B P35368 4/20 0.48
HTR1A P08908 2/20 0.42
HTR2A P28223 2/20 0.42
HTR2B P41595 2/20 0.42
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL6989097 0.87 HTR2C (0.49) DRD2SLC6A4HTR1AHTR2A
SCHEMBL6990695 0.77 DRD2 (0.48) DRD2SLC6A4ADRA1DADRA1AADRA1B
SCHEMBL8788480 0.77 ACHE (0.45) DRD2SLC6A4HTR2A
SCHEMBL8787574 0.76 DRD2 (0.47) DRD2SLC6A4ADRA1AHTR1AHTR2A
SCHEMBL9522190 0.72 HTR1A (0.53) DRD2SLC6A4ADRA1DADRA1AADRA1B
SCHEMBL6993728 0.70 DRD2 (0.48) DRD2SLC6A4ADRA1DADRA1AADRA1B
SCHEMBL6991016 0.69 DRD2 (0.60) DRD2SLC6A4ADRA1DADRA1AADRA1B
SCHEMBL6994156 0.69 DRD2 (0.50) DRD2SLC6A4ADRA1DADRA1AADRA1B
SCHEMBL9739413 0.68 HTR1A (0.53) DRD2SLC6A4ADRA1DADRA1AADRA1B
SCHEMBL6991545 0.68 DRD2 (0.49) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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