SCHEMBL461775

SCHEMBL461775

CCOC(=O)c1noc(N2CCC([C@H](C)Oc3cnc(N4C[C@H](NC(=O)OC(C)(C)C)[C@@H](c5cc(C)c(F)cc5F)C4)nc3)CC2)n1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.31
RET P07949 5/20 0.31
NR1H2 P55055 3/20 0.31
NR1H3 Q13133 2/20 0.31
MAP3K5 Q99683 2/20 0.30

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
SCHEMBL462819 0.92 NTRK1 (0.34) OPRK1RETNR1H2NR1H3
SCHEMBL12064985 0.89 DPP4 (0.33) RETNR1H2
SCHEMBL463066 0.87 NR1H2 (0.33) OPRK1RETNR1H2NR1H3MAP3K5
SCHEMBL470535 0.85 NR1H2 (0.33) RETNR1H2MAP3K5
SCHEMBL470798 0.84 DPP4 (0.32) NR1H2
SCHEMBL12064592 0.83 NR1H2 (0.31) NR1H2
SCHEMBL470580 0.82 NR1H2 (0.33) OPRK1RETNR1H2MAP3K5
SCHEMBL12064983 0.82 GPR119 (0.36) NR1H2
SCHEMBL12064814 0.82 NR1H2 (0.33) RETNR1H2MAP3K5
SCHEMBL470523 0.81 NTRK1 (0.35) RETNR1H2

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