SCHEMBL4566643

SCHEMBL4566643

CC(C)(C)C1CC(Oc2cccc(CO[Si](C)(C)C(C)(C)C)n2)CCN1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 2/20 0.33
POLB P06746 1/20 0.30
RIPK1 Q13546 1/20 0.30
AGTR2 P50052 2/20 0.30
FFAR4 Q5NUL3 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
SCHEMBL3602535 0.86 HRH3 (0.37) KCNH2HRH3FFAR4
SCHEMBL3602166 0.77 GPR119 (0.49)
SCHEMBL3607859 0.74 CYP2D6 (0.38) POLBRIPK1
SCHEMBL3605764 0.74 RAB9A (0.39)
SCHEMBL4593696 0.71 GPR119 (0.34)
SCHEMBL8511076 0.70 DGAT1 (0.45) KCNH2
SCHEMBL4616891 0.70 GPR119 (0.31)
SCHEMBL28053867 0.70 OPRK1 (0.41) KCNH2POLB
SCHEMBL4593318 0.69 LOXL2 (0.30)
SCHEMBL3252707 0.69 HRH1 (0.33)

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