SCHEMBL18780179

SCHEMBL18780179

CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N=O)C1CCCCC1)C(=O)N1CCC[C@H]1B(O)O

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 15/20 0.60
▸ DPP8 Q6V1X1 11/20 0.60
▸ DPP9 Q86TI2 10/20 0.60
▸ FAP Q12884 11/20 0.50
▸ PREP P48147 9/20 0.50
▸ DPP7 Q9UHL4 13/20 0.48
▸ PITRM1 Q5JRX3 2/20 0.46

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
SCHEMBL18780181 0.88 DPP4 (0.53) DPP4DPP8DPP9FAPPREP
SCHEMBL15386478 0.86 DPP4 (0.61) DPP4DPP8DPP9FAPPREP
SCHEMBL12658522 0.86 DPP4 (0.61) DPP4DPP8DPP9FAPPREP
SCHEMBL18780158 0.86 FAP (0.48) DPP4DPP8DPP9FAPPREP
SCHEMBL15386480 0.82 DPP4 (0.67) DPP4DPP8DPP9FAPPREP
SCHEMBL13263364 0.82 DPP4 (0.67) DPP4DPP8DPP9FAPPREP
SCHEMBL12658524 0.82 DPP4 (0.67) DPP4DPP8DPP9FAPPREP
SCHEMBL15386477 0.82 DPP4 (0.67) DPP4DPP8DPP9FAPPREP
SCHEMBL18780180 0.74 DPP4 (0.50) DPP4DPP8DPP9FAPPREP
SCHEMBL19221502 0.73 DPP4 (0.55) DPP4DPP8DPP9FAPPREP

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-9629921-B2 Smart pro-drugs of serine protease inhibitors TRUSTEES OF TUFTS COLLEGE (US) 2017-04-25 — — US disclosed
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