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SCHEMBL14730286

SCHEMBL14730286

Cc1cc([C@H]2CN(c3ncc(C(=O)N(C)C4CCN(c5nc(C(C)C)no5)CC4)cn3)C[C@@H]2N)c(F)cc1F

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 11/20 0.37
▸ DPP4 P27487 9/20 0.36
▸ DPP8 Q6V1X1 6/20 0.36
▸ DPP7 Q9UHL4 6/20 0.36
▸ DPP9 Q86TI2 6/20 0.36
▸ KCNH2 Q12809 3/20 0.35
▸ CYP2D6 P10635 1/20 0.35

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
SCHEMBL14730357 0.94 DPP4 (0.36) DPP4DPP8DPP7DPP9KCNH2
SCHEMBL14730363 0.91 GPR119 (0.36) GPR119DPP4DPP8DPP7DPP9
SCHEMBL14730358 0.89 DPP4 (0.37) GPR119DPP4DPP8DPP7DPP9
SCHEMBL14730288 0.89 DPP4 (0.41) DPP4DPP8DPP7DPP9KCNH2
SCHEMBL14730236 0.89 DPP4 (0.36) DPP4DPP8DPP7DPP9KCNH2
SCHEMBL14730206 0.85 GPR119 (0.36) GPR119KCNH2
SCHEMBL14730235 0.85 DPP4 (0.35) DPP4DPP8DPP7DPP9KCNH2
SCHEMBL14730290 0.84 GPR119 (0.32) GPR119DPP4DPP8DPP7DPP9
SCHEMBL14730285 0.83 DPP4 (0.43) DPP4DPP8DPP7DPP9KCNH2
SCHEMBL14730231 0.83 DPP4 (0.41) DPP4DPP8DPP7DPP9KCNH2

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