SCHEMBL4440335

SCHEMBL4440335

CN1CCCC(O)C1.CN1CCCC(Oc2cccc(C#N)c2)C1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 3/20 0.52
DRD2 P14416 2/20 0.52
SLC6A2 P23975 2/20 0.47
SLC6A3 Q01959 2/20 0.47
SLC6A4 P31645 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HRH3 Q9Y5N1 2/20 0.45
HRH1 P35367 4/20 0.43
CCR3 P51677 3/20 0.43
CHRM4 P08173 1/20 0.42
MGLL Q99685 2/20 0.41
HRH2 P25021 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
CASP1 P29466 1/20 0.41

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
SCHEMBL3608160 0.93 DRD3 (0.59) DRD3DRD2SLC6A2SLC6A3SLC6A4
SCHEMBL4443660 0.82 HRH3 (0.60) DRD3DRD2SLC6A2SLC6A3SLC6A4
SCHEMBL3289104 0.80 HRH3 (0.68) DRD3DRD2SLC6A2SLC6A3SLC6A4
SCHEMBL16382665 0.80 SLC6A2 (0.57) DRD3DRD2SLC6A2SLC6A3SLC6A4
Hydrochloric Acid SCHEMBL4227255 0.79 HRH3 (0.67) DRD3DRD2SLC6A2SLC6A3SLC6A4
SCHEMBL11457969 0.79 DRD3 (0.56) DRD3DRD2SLC6A2SLC6A3SLC6A4
SCHEMBL4236282 0.78 DRD2 (0.61) DRD3DRD2SLC6A2SLC6A3SLC6A4
SCHEMBL6496199 0.76 SLC6A2 (0.66) SLC6A2SLC6A3SLC6A4HRH3HRH1
SCHEMBL26049997 0.76 SLC6A2 (0.66) DRD3DRD2SLC6A2SLC6A3SLC6A4
SCHEMBL24394537 0.75 ALDH1A1 (0.62) DRD2SLC6A2SLC6A3SLC6A4ALDH1A1

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-2121703-A1 THIENOPYRIMIDIN-4-ONE AND THIENOPYRIDAZIN-7-ONE DERIVATIVES AS MCH RL ANTAGONISTS AstraZeneca AB (SE) 2009-11-25 EP disclosed
WO-2008020799-A1 THIENOPYRIMIDIN-4-ONE AND THIENOPYRIDAZIN-7-ONE DERIVATIVES AS MCH RL ANTAGONISTS ASTRAZENECA AB (SE) 2008-02-21 WO disclosed