SCHEMBL8872046

SCHEMBL8872046

CC(=O)N1C2Cc3cc(O)c(O)cc3C1Cc1cc(O)c(O)cc12

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 8/20 0.41
DRD2 P14416 6/20 0.41
RAC1 P63000 2/20 0.39
DRD3 P35462 2/20 0.39
DRD5 P21918 1/20 0.38
MAOA P21397 1/20 0.38
FYN P06241 1/20 0.37
HTR1A P08908 1/20 0.37

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
SCHEMBL8871314 0.87 HTR1A (0.56) DRD1DRD2DRD3DRD5HTR1A
SCHEMBL8871646 0.77 TSHR (0.39) DRD1DRD2HTR1A
SCHEMBL10535627 0.66 DRD1 (0.64) DRD1DRD2RAC1DRD3DRD5
Bisnorargemonine SCHEMBL29617591 0.64 HTR1A (0.73) DRD1DRD2DRD3DRD5MAOA
SCHEMBL20646128 0.62 FYN (0.44) DRD2DRD3MAOAFYN
SCHEMBL8276783 0.62 FYN (0.56) DRD2DRD3MAOAFYN
SCHEMBL21637895 0.62 NOTUM (0.44)
SCHEMBL5131200 0.61 MAOA (0.46) DRD2DRD3MAOA
SCHEMBL29803390 0.61 ACE (0.38)
SCHEMBL22462292 0.61 ACE (0.38)

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
US-5648359-A ESCHSCHOLTZINE AND DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1997-07-15 US disclosed
EP-0663210-A2 Tumor necrosis factor production inhibitors SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1995-07-19 EP disclosed