SCHEMBL6763648

SCHEMBL6763648

CCOCCc1cccc2[nH]c(=O)[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.40
PDE3A Q14432 4/20 0.40
P2RY12 Q9H244 2/20 0.40
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
DRD3 P35462 2/20 0.39
GRIN2D O15399 2/20 0.38
GRIN3B O60391 2/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2B Q13224 2/20 0.38
GRIN2C Q14957 2/20 0.38
GRIN3A Q8TCU5 2/20 0.38
ADRB2 P07550 3/20 0.36
ADRB1 P08588 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ADRB3 P13945 2/20 0.36
CYP1A2 P05177 1/20 0.36
ALOX15 P16050 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
SCHEMBL6768239 0.84 GRIN2D (0.42) PDE3BPDE3ADRD2DRD4DRD3
SCHEMBL6772741 0.84 GRIN2D (0.40) PDE3BPDE3AP2RY12DRD2DRD4
SCHEMBL5388796 0.82 DAO (0.50) DRD2DRD4DRD3GRIN2DGRIN3B
SCHEMBL5379137 0.80 DAO (0.46) PDE3BPDE3ADRD2DRD4DRD3
SCHEMBL6767625 0.79 DRD2 (0.39) DRD2DRD4DRD3GRIN2DGRIN3B
SCHEMBL6766321 0.77 CYP4F2 (0.54) PDE3BPDE3AP2RY12DRD2GRIN2D
SCHEMBL6767783 0.76 GRIN2D (0.40) DRD2DRD4DRD3GRIN2DGRIN3B
SCHEMBL6766305 0.76 GRIN2D (0.38) DRD2DRD4DRD3GRIN2DGRIN3B
SCHEMBL6766397 0.76 GRIN2D (0.42) PDE3BPDE3ADRD2DRD4DRD3
SCHEMBL6767952 0.76 GRIN2D (0.46) PDE3BPDE3ADRD2DRD4DRD3

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-6699880-B1 STIMULATE MUSCARINIC ACETYLCHOLINE RECEPTORS M4, ANALGESICS BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-03-02 US disclosed
EP-1221443-A1 SUBSTITUTED IMIDAZOLIDINONE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-07-10 EP disclosed