SCHEMBL470486

SCHEMBL470486

CCc1noc(N2CCC([C@H](C)Oc3cnc(N4CC[C@H](c5cc(F)ccc5F)[C@@H](NC(=O)OC(C)(C)C)C4)nc3)CC2)n1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 6/20 0.36
RET P07949 5/20 0.33
NPY5R Q15761 4/20 0.33
GPR119 Q8TDV5 1/20 0.32
NR1H2 P55055 1/20 0.32
KDM4D Q6B0I6 1/20 0.32
ACACB O00763 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
SCHEMBL470580 0.90 NR1H2 (0.33) RETNR1H2ACACB
SCHEMBL470523 0.88 NTRK1 (0.35) NTRK1RETGPR119NR1H2KDM4D
SCHEMBL470624 0.87 GPR119 (0.33) GPR119ACACB
SCHEMBL12064744 0.87 NTRK1 (0.34) NTRK1RETNPY5RGPR119NR1H2
SCHEMBL462819 0.86 NTRK1 (0.34) NTRK1RETGPR119NR1H2
SCHEMBL12064745 0.85 NTRK1 (0.34) NTRK1RETGPR119NR1H2KDM4D
SCHEMBL149552 0.84 GPR119 (0.38) NTRK1RETGPR119
SCHEMBL121467 0.84 GPR119 (0.38) NTRK1RETGPR119
SCHEMBL470662 0.83 GPR119 (0.33) GPR119
SCHEMBL147233 0.82 GPR119 (0.39) NTRK1GPR119ACACB

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