SCHEMBL6990695

SCHEMBL6990695

O=C1Cc2c(ccc3c2OC(CN2CCC(C(=O)c4ccc(F)cc4)CC2)CO3)N1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.48
SLC6A4 P31645 5/20 0.48
ADRA1D P25100 3/20 0.48
ADRA1A P35348 3/20 0.48
ADRA1B P35368 3/20 0.48
HTR2C P28335 7/20 0.44
HTR2A P28223 7/20 0.44
HRH1 P35367 1/20 0.44
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
HTR7 P34969 1/20 0.41
HTR6 P50406 1/20 0.41
HTR2B P41595 1/20 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
SCHEMBL6321111 0.80 HTR2C (0.45) DRD2SLC6A4ADRA1AHTR2CHTR2A
SCHEMBL11107203 0.77 ADRA2A (0.55) DRD2ADRA1DADRA1AADRA1BHTR2C
SCHEMBL8320229 0.77 DRD2 (0.48) DRD2SLC6A4ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL11104894 0.76 HTR2C (0.54) DRD2ADRA1DADRA1AADRA1BHTR2C
SCHEMBL6989097 0.76 HTR2C (0.49) DRD2SLC6A4HTR2CHTR2AHTR6
SCHEMBL6797367 0.76 HTR2A (0.43) DRD2HTR2CHTR2AHRH1LMNA
SCHEMBL6906280 0.75 HTR1A (0.61) DRD2SLC6A4HTR2CHTR2ASMN1; SMN2
SCHEMBL6782174 0.75 HTR2A (0.51) DRD2HTR2CHTR2AHRH1LMNA
SCHEMBL7038063 0.75 HTR2A (0.42) DRD2HTR2CHTR2AHRH1LMNA
SCHEMBL3026960 0.73 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