SCHEMBL18780174

SCHEMBL18780174

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

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FAP Q12884 14/20 0.60
▸ PREP P48147 9/20 0.60
▸ DPP4 P27487 15/20 0.58
▸ DPP7 Q9UHL4 14/20 0.58
▸ DPP8 Q6V1X1 12/20 0.58
▸ DPP9 Q86TI2 11/20 0.58
▸ PITRM1 Q5JRX3 1/20 0.52

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
SCHEMBL13285561 1.00 FAP (0.60) FAPPREPDPP4DPP7DPP8
SCHEMBL15386476 0.88 DPP4 (0.58) FAPPREPDPP4DPP7DPP8
SCHEMBL13263363 0.88 DPP4 (0.58) FAPPREPDPP4DPP7DPP8
SCHEMBL13285457 0.88 DPP4 (0.58) FAPPREPDPP4DPP7DPP8
SCHEMBL29384148 0.84 ACE (0.49) —
SCHEMBL13402537 0.81 FAP (0.45) FAPPREPDPP4DPP7DPP8
SCHEMBL2549572 0.81 ACE (0.54) FAPPREP
SCHEMBL6559375 0.81 ACE (0.54) FAPPREP
SCHEMBL25890374 0.80 DPP4 (0.72) FAPPREPDPP4DPP7DPP8
SCHEMBL30140016 0.79 ACE (0.51) FAPPREP

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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