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SCHEMBL463106

SCHEMBL463106

CC(C)(C)OC(=O)N[C@H]1CN(c2ncc(OC(c3ncc(Cl)cn3)[C@@H]3CCNC[C@@H]3O)cn2)C[C@@H]1c1cc(F)ccc1F

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 11/20 0.35
▸ EIF2AK4 Q9P2K8 1/20 0.33
▸ RET P07949 7/20 0.32
▸ JAK2 O60674 1/20 0.31
▸ AKT1 P31749 1/20 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
SCHEMBL462064 1.00 NTRK1 (0.35) NTRK1EIF2AK4RETJAK2AKT1
SCHEMBL470601 0.82 NTRK1 (0.38) NTRK1RET
SCHEMBL462063 0.79 GPR119 (0.42) NTRK1EIF2AK4RET
SCHEMBL463105 0.79 GPR119 (0.42) NTRK1EIF2AK4RET
SCHEMBL462062 0.79 GPR119 (0.42) NTRK1EIF2AK4RET
SCHEMBL470485 0.78 GPR119 (0.43) NTRK1EIF2AK4RET
SCHEMBL470735 0.76 NTRK1 (0.42) NTRK1RET
SCHEMBL148181 0.76 NTRK1 (0.38) NTRK1EIF2AK4RET
SCHEMBL148182 0.76 NTRK1 (0.38) NTRK1EIF2AK4RET
SCHEMBL610961 0.76 NTRK1 (0.41) NTRK1RET

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