SCHEMBL470751

SCHEMBL470751

CN(C)Cc1nc(N2CCC(COc3cnc(N4C[C@H](NC(=O)OC(C)(C)C)[C@@H](c5cc(F)ccc5F)C4)nc3)CC2)no1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.38
MCHR1 Q99705 1/20 0.35
NTRK1 P04629 3/20 0.34
RBP4 P02753 2/20 0.34
TTR P02766 2/20 0.34
RET P07949 6/20 0.34
ACKR3 P25106 1/20 0.33
EIF2AK4 Q9P2K8 1/20 0.32
KCNH2 Q12809 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
SCHEMBL12064977 0.93 GPR119 (0.38) GPR119MCHR1NTRK1RBP4TTR
SCHEMBL470640 0.89 MCHR1 (0.36) GPR119MCHR1NTRK1RBP4TTR
SCHEMBL470485 0.87 GPR119 (0.43) GPR119MCHR1NTRK1RETEIF2AK4
SCHEMBL470590 0.84 NTRK1 (0.38) GPR119MCHR1NTRK1RBP4TTR
SCHEMBL12064703 0.83 MCHR1 (0.37) GPR119MCHR1NTRK1RETKCNH2
SCHEMBL459423 0.83 GPR119 (0.41) GPR119MCHR1NTRK1RBP4RET
SCHEMBL470475 0.81 GPR119 (0.38) GPR119EIF2AK4KCNH2
SCHEMBL12064704 0.81 GPR119 (0.36) GPR119MCHR1NTRK1RET
SCHEMBL458155 0.80 PDE4B (0.43) GPR119MCHR1
SCHEMBL462498 0.79 RET (0.40) GPR119MCHR1RET

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