SCHEMBL470644

SCHEMBL470644

Cc1ccnc([C@H]2CN(c3ncc(O[C@@H](C)C4CCN(c5nc(C(C)C)no5)CC4)cn3)C[C@@H]2N)c1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 17/20 0.40
GPR183 P32249 1/20 0.40
KCNH2 Q12809 3/20 0.37
DPP4 P27487 3/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 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
SCHEMBL12064841 0.89 GPR119 (0.41) GPR119GPR183KCNH2DPP4CYP3A4
SCHEMBL470907 0.86 GPR119 (0.40) GPR119GPR183KCNH2DPP4CYP3A4
SCHEMBL470553 0.83 GPR119 (0.37) GPR119GPR183KCNH2CYP3A4CYP2C19
SCHEMBL470661 0.80 GPR119 (0.47) GPR119GPR183KCNH2CYP2C19
SCHEMBL470683 0.79 OPRK1 (0.33) GPR119GPR183
SCHEMBL470577 0.77 DPP4 (0.41) KCNH2DPP4
SCHEMBL470633 0.77 DPP4 (0.41) KCNH2DPP4
SCHEMBL461833 0.76 MCHR1 (0.36) GPR119GPR183KCNH2DPP4
SCHEMBL470902 0.76 DPP4 (0.34) GPR119GPR183KCNH2DPP4
SCHEMBL470656 0.75 ALOX5AP (0.34) GPR119KCNH2DPP4

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