SCHEMBL459423

SCHEMBL459423

CC(C)(C)OC(=O)N[C@H]1CN(c2ncc(OCC3CCN(C(=N)NO)CC3)cn2)C[C@@H]1c1cc(F)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.41
NTRK1 P04629 3/20 0.39
MCHR1 Q99705 1/20 0.38
RET P07949 6/20 0.35
RBP4 P02753 1/20 0.35
F2R P25116 1/20 0.35
HDAC1 Q13547 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
SCHEMBL470485 0.88 GPR119 (0.43) GPR119NTRK1MCHR1RET
SCHEMBL12064703 0.86 MCHR1 (0.37) GPR119NTRK1MCHR1RET
SCHEMBL458155 0.86 PDE4B (0.43) GPR119MCHR1
SCHEMBL457629 0.86 GPR119 (0.35) GPR119RETF2R
SCHEMBL14722672 0.85 GPR119 (0.40) GPR119NTRK1
SCHEMBL14730229 0.85 GPR119 (0.40) GPR119NTRK1
SCHEMBL6128597 0.85 GPR119 (0.40) GPR119NTRK1
SCHEMBL470590 0.84 NTRK1 (0.38) GPR119NTRK1MCHR1RETRBP4
SCHEMBL470640 0.83 MCHR1 (0.36) GPR119NTRK1MCHR1RETRBP4
SCHEMBL12064977 0.83 GPR119 (0.38) GPR119NTRK1MCHR1RETRBP4

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