SCHEMBL3851297

SCHEMBL3851297

[CH2]c1cccc(N(CC(=O)N2CCCC2B(O)O)[C@H]2CCNC2)c1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FAP Q12884 17/20 0.45
▸ DPP4 P27487 16/20 0.45
▸ PREP P48147 15/20 0.45
▸ DPP8 Q6V1X1 7/20 0.44
▸ DPP9 Q86TI2 7/20 0.44
▸ DPP7 Q9UHL4 3/20 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
SCHEMBL3850135 1.00 FAP (0.45) FAPDPP4PREPDPP8DPP9
SCHEMBL5912493 1.00 FAP (0.45) FAPDPP4PREPDPP8DPP9
SCHEMBL2959334 0.74 FAP (0.59) FAPDPP4PREPDPP8DPP9
SCHEMBL2956816 0.74 FAP (0.59) FAPDPP4PREPDPP8DPP9
SCHEMBL2956815 0.72 FAP (0.54) FAPDPP4PREPDPP8DPP9
SCHEMBL5498101 0.67 DPP4 (0.51) FAPDPP4PREPDPP8DPP9
SCHEMBL5498099 0.67 DPP4 (0.51) FAPDPP4PREPDPP8DPP9
SCHEMBL3149737 0.65 DPP4 (0.62) FAPDPP4PREPDPP8DPP9
SCHEMBL2818278 0.65 DPP4 (0.62) FAPDPP4PREPDPP8DPP9
SCHEMBL13134194 0.63 FAP (0.60) FAPDPP4PREPDPP8DPP9

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-7576121-B2 Pyrrolidine compounds and methods for selective inhibition of dipeptidyl peptidase-IV PHENOMIX CORPORATION (US) 2009-08-18 — — US claimed
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