SCHEMBL470659

SCHEMBL470659

CC(C)c1noc(N2CCC([C@H](C)Oc3cnc(N4C[C@H](NCl)[C@@H](C5=CC(F)C(F)C=C5F)C4)nc3)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 19/20 0.39
GPR183 P32249 1/20 0.39
KCNH2 Q12809 3/20 0.37
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL12064798 0.85 GPR119 (0.40) GPR119GPR183KCNH2CYP3A4CYP2C19
SCHEMBL470672 0.85 ACACB (0.35)
SCHEMBL12064851 0.80 GPR119 (0.35) GPR119GPR183KCNH2
SCHEMBL12064539 0.80 GPR119 (0.35) GPR119GPR183KCNH2
SCHEMBL12064555 0.80 GPR119 (0.35) GPR119GPR183KCNH2CYP3A4CYP2C19
SCHEMBL470549 0.79 ALOX5AP (0.30)
SCHEMBL470627 0.79 GPR119 (0.44) GPR119GPR183KCNH2CYP3A4CYP2C19
SCHEMBL470864 0.79 GPR119 (0.30) GPR119
SCHEMBL470661 0.77 GPR119 (0.47) GPR119GPR183KCNH2CYP2C19
SCHEMBL470626 0.76 GPR119 (0.49) GPR119GPR183KCNH2CYP3A4CYP2C19

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
WO-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed