SCHEMBL19059062

SCHEMBL19059062

CC(C)c1noc(N2CCC(CCCCCOc3ccc(CC(=O)N4CC[C@@H](F)C4)cc3)CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 15/20 0.49
KCNH2 Q12809 1/20 0.49
GPR183 P32249 1/20 0.42
CHRM4 P08173 1/20 0.37
FAAH O00519 1/20 0.37
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
ENPP2 Q13822 1/20 0.35

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
SCHEMBL19059059 0.91 GPR119 (0.50) GPR119KCNH2GPR183CHRM4FAAH
SCHEMBL19059240 0.90 GPR119 (0.58) GPR119KCNH2GPR183FAAHITGB3
SCHEMBL19059325 0.85 GPR119 (0.68) GPR119KCNH2
SCHEMBL13194858 0.85 GPR119 (0.68) GPR119KCNH2
SCHEMBL15490192 0.85 GPR119 (0.68) GPR119KCNH2
SCHEMBL2898618 0.85 GPR119 (0.48) GPR119KCNH2GPR183
SCHEMBL2898615 0.85 GPR119 (0.48) GPR119KCNH2GPR183
SCHEMBL19059465 0.81 GPR119 (0.69) GPR119KCNH2
SCHEMBL19059316 0.81 GPR119 (0.69) GPR119KCNH2
SCHEMBL13194857 0.81 GPR119 (0.69) GPR119KCNH2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2693882-B1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME (US) 2017-06-28 EP disclosed