SCHEMBL460033

SCHEMBL460033

CC(C)(C)OC(=O)N[C@@]1(c2ncc(OCCC3CCN(C#N)CC3)cn2)CNC[C@@H]1c1cc(F)ccc1F

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.33
NTRK1 P04629 10/20 0.33
GPR119 Q8TDV5 1/20 0.32
JAK2 O60674 3/20 0.32
RORC P51449 2/20 0.32
AAK1 Q2M2I8 2/20 0.31
USP30 Q70CQ3 1/20 0.31
SCN9A Q15858 1/20 0.31

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
SCHEMBL457491 0.89 ITGB3 (0.34) NTRK1RORC
SCHEMBL458010 0.81 ITGB3 (0.34) SCN9A
SCHEMBL457628 0.80 GPR119 (0.34) GPR119SCN9A
SCHEMBL459944 0.80 NTRK1 (0.34) NTRK1JAK2RORC
SCHEMBL457723 0.80 NTRK1 (0.34) NTRK1JAK2RORC
SCHEMBL463438 0.78 HTR2A (0.35)
SCHEMBL459071 0.77 NTRK1 (0.33) NTRK1RORC
SCHEMBL460034 0.76 CHRM2 (0.38) RETNTRK1AAK1USP30
SCHEMBL459362 0.74
SCHEMBL14722673 0.72 GPR119 (0.39) GPR119

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