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Sugi Predict / Compounds / SCHEMBL14730243

SCHEMBL14730243

SCHEMBL14730243

CCn1nnc(N2CCC(N(C(=O)c3cnc(N4C[C@H](NC(=O)OC(C)(C)C)[C@@H](c5cc(F)ccc5F)C4)nc3)C3CC3)CC2)n1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 17/20 0.36
▸ NTRK1 P04629 3/20 0.36

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
SCHEMBL14730211 0.94 NTRK1 (0.36) NTRK1
SCHEMBL470608 0.86 NTRK1 (0.37) GPR119NTRK1
SCHEMBL14730291 0.85 MCHR1 (0.38) —
SCHEMBL14730229 0.85 GPR119 (0.40) GPR119NTRK1
SCHEMBL6128597 0.85 GPR119 (0.40) GPR119NTRK1
SCHEMBL14722672 0.85 GPR119 (0.40) GPR119NTRK1
SCHEMBL14722774 0.84 GPR119 (0.34) GPR119NTRK1
SCHEMBL14730224 0.83 NTRK1 (0.35) NTRK1
SCHEMBL14722778 0.83 NR1H2 (0.34) GPR119NTRK1
SCHEMBL14730269 0.82 NTRK1 (0.37) GPR119NTRK1

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-2013026587-A1 1,4 DISUBSTITUTED PYRROLIDINE - 3 - YL -AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2013-02-28 — — WO disclosed