SCHEMBL3909045

SCHEMBL3909045

Cn1c(C2CCOCC2)nnc1C1C2CC3CC(C2)CC1(I)C3

nearest known ligand 0.30

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE1B Q01064 1/20 0.30
CYP2A13 Q16696 1/20 0.30
DRD2 P14416 3/20 0.30
DRD3 P35462 3/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL3554142 0.74 HSD11B1 (0.46) PDE1BDRD2DRD3CHRM1CHRM3
SCHEMBL4872348 0.68 PDE1B (0.38) PDE1BDRD2DRD3CHRM1CHRM3
SCHEMBL5104789 0.67 HSD11B1 (0.44)
SCHEMBL5098546 0.62 HSD11B1 (0.51)
SCHEMBL17712727 0.62 MEN1 (0.64) DRD2DRD3CHRM1CHRM3KCNH2
SCHEMBL22211357 0.60 PDE1B (0.35) PDE1BDRD2DRD3CHRM1CHRM3
SCHEMBL5098515 0.60 HSD11B1 (0.49)
SCHEMBL5095870 0.59 HSD11B1 (0.48)
SCHEMBL18488318 0.56 DRD2 (0.53) DRD2DRD3CHRM1CHRM3KCNH2
SCHEMBL1877389 0.55 DRD3 (0.46) PDE1BDRD2DRD3CHRM1CHRM3

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-2018378-A2 HETEROCYCLIC INHIBITORS OF 11-B HYDROXYL STEROID DEHYDROGENASE TYPE I AND METHODS OF USING THE SAME Incyte Corporation (US) 2009-01-28 EP claimed
WO-2007137066-A2 HETEROCYCLIC INHIBITORS OF 11-β HYDROXYL STEROID DEHYDROGENASE TYPE I AND METHODS OF USING THE SAME INCYTE CORPORATION (US) 2007-11-29 WO claimed