SCHEMBL470564

SCHEMBL470564

C[C@H](Oc1cnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](c3cc(F)ccc3F)C2)nc1)C1CCN(c2nn[nH]n2)CC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 5/20 0.36
RET P07949 7/20 0.33
NR1H2 P55055 1/20 0.33
GRM4 Q14833 1/20 0.33
GPR119 Q8TDV5 1/20 0.32
NPY5R Q15761 3/20 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
SCHEMBL12064703 0.88 MCHR1 (0.37) NTRK1RETGPR119
SCHEMBL470601 0.87 NTRK1 (0.38) NTRK1RETNR1H2GRM4NPY5R
SCHEMBL470608 0.87 NTRK1 (0.37) NTRK1RETNR1H2GPR119NPY5R
SCHEMBL460032 0.86 NTRK1 (0.38) NTRK1RET
SCHEMBL14730224 0.85 NTRK1 (0.35) NTRK1RETNPY5R
SCHEMBL12064739 0.84 NTRK1 (0.35) NTRK1RETNR1H2GRM4GPR119
SCHEMBL470523 0.83 NTRK1 (0.35) NTRK1RETNR1H2GPR119KDM4D
SCHEMBL12064782 0.82 PDE4B (0.42) NTRK1NR1H2GPR119NPY5R
SCHEMBL12064745 0.81 NTRK1 (0.34) NTRK1RETNR1H2GPR119KDM4D
SCHEMBL12064744 0.81 NTRK1 (0.34) NTRK1RETNR1H2GPR119NPY5R

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