SCHEMBL6991016

SCHEMBL6991016

O=C1Cc2c(ccc3c2OC(CN2CCC(n4c(=O)[nH]c5ccccc54)CC2)CO3)N1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.60
HTR1A P08908 1/20 0.60
HTR2A P28223 1/20 0.60
HTR2C P28335 1/20 0.60
HTR2B P41595 1/20 0.60
OPRM1 P35372 3/20 0.50
OPRK1 P41145 3/20 0.50
OPRL1 P41146 3/20 0.50
ADRA1D P25100 3/20 0.48
ADRA1A P35348 3/20 0.48
ADRA1B P35368 3/20 0.48
SLC6A4 P31645 2/20 0.48
CHRM2 P08172 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM1 P11229 1/20 0.46
HTR7 P34969 1/20 0.46
DRD3 P35462 1/20 0.46
OPRD1 P41143 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL9943304 0.82 DRD2 (0.61) DRD2HTR1AHTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL11096032 0.81 DRD2 (0.61) DRD2HTR1AHTR2AHTR2CHTR2B
SCHEMBL11096796 0.79 DRD2 (0.61) DRD2HTR1AHTR2AHTR2CHTR2B
SCHEMBL11096050 0.78 DRD2 (0.62) DRD2HTR1AHTR2AHTR2CHTR2B
SCHEMBL11095945 0.78 DRD2 (0.62) DRD2HTR1AHTR2AHTR2CHTR2B
SCHEMBL11101398 0.78 DRD2 (0.62) DRD2HTR1AHTR2AHTR2CHTR2B
SCHEMBL11098294 0.78 OPRM1 (0.62) DRD2HTR1AHTR2AHTR2CHTR2B
SCHEMBL6772982 0.78 DRD2 (0.60) DRD2HTR1AHTR2AHTR2CHTR2B
SCHEMBL6904652 0.78 HTR1A (0.64) DRD2HTR1AHTR2AHTR2CHTR2B
SCHEMBL11097105 0.78 OPRM1 (0.66) DRD2HTR1AHTR2AHTR2CHTR2B

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