SCHEMBL4556181

SCHEMBL4556181

CN1CCC(O)CC1.CN1CCC(O)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.43
NCF1 P14598 1/20 0.43
LMNA P02545 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
QDPR P09417 1/20 0.35
SPHK1 Q9NYA1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KCNA3 P22001 1/20 0.33
CYP1A2 P05177 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL3359855 1.00
SCHEMBL7928 1.00
Methane SCHEMBL2671466 0.97
Hydrochloric Acid SCHEMBL6489107 0.97
Iodide SCHEMBL28520797 0.97 GPR119 (0.42) GPR119NCF1LMNACYP2C9TSHR
Ethane SCHEMBL27516222 0.97 GPR119 (0.42) GPR119NCF1LMNACYP2C9TSHR
Hno SCHEMBL27257994 0.91 GPR119 (0.39) GPR119NCF1LMNACYP2C9TSHR
SCHEMBL23107536 0.89
SCHEMBL19045196 0.89
SCHEMBL2487331 0.89

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