SCHEMBL2584042

SCHEMBL2584042

COC(=O)/C=C/[C@H]1CC[C@@H](c2cc(F)ccc2F)N1C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 19/20 0.45
GPR119 Q8TDV5 1/20 0.37
JAK2 O60674 2/20 0.37

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
SCHEMBL2588658 0.92 NTRK1 (0.38) NTRK1GPR119
SCHEMBL2584159 0.89 DPP4 (0.36) NTRK1GPR119
SCHEMBL2577892 0.87 GPR119 (0.35) NTRK1GPR119
SCHEMBL4513904 0.86 MEN1 (0.37) NTRK1JAK2
SCHEMBL4513907 0.86 MEN1 (0.37) NTRK1JAK2
SCHEMBL2581640 0.85 FFAR2 (0.39) NTRK1GPR119JAK2
SCHEMBL2584569 0.85 FFAR2 (0.39) NTRK1GPR119JAK2
SCHEMBL2588804 0.84 RIPK1 (0.44) NTRK1GPR119JAK2
SCHEMBL2583332 0.83 RIPK1 (0.37) NTRK1
SCHEMBL2575487 0.81 NTRK1 (0.32) NTRK1JAK2

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
US-8048878-B2 Two cyclic cinnamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-11-01 US disclosed