SCHEMBL18780158

SCHEMBL18780158

CC[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 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FAP Q12884 13/20 0.48
▸ PREP P48147 8/20 0.48
▸ DPP4 P27487 17/20 0.47
▸ DPP7 Q9UHL4 13/20 0.47
▸ DPP8 Q6V1X1 10/20 0.47
▸ DPP9 Q86TI2 9/20 0.47
▸ PITRM1 Q5JRX3 1/20 0.42

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
SCHEMBL15386522 0.87 DPP4 (0.59) FAPPREPDPP4DPP7DPP8
SCHEMBL13259718 0.87 DPP4 (0.59) FAPPREPDPP4DPP7DPP8
SCHEMBL13285559 0.87 DPP4 (0.59) FAPPREPDPP4DPP7DPP8
SCHEMBL18780179 0.86 DPP4 (0.60) FAPPREPDPP4DPP7DPP8
SCHEMBL18780181 0.82 DPP4 (0.53) FAPPREPDPP4DPP7DPP8
SCHEMBL15028066 0.77 DPP4 (0.51) FAPPREPDPP4DPP7DPP8
SCHEMBL15386487 0.73 DPP4 (0.65) FAPPREPDPP4DPP7DPP8
SCHEMBL12658501 0.73 DPP4 (0.65) FAPPREPDPP4DPP7DPP8
SCHEMBL13399328 0.73 DPP4 (0.65) FAPPREPDPP4DPP7DPP8
SCHEMBL18780180 0.73 DPP4 (0.50) FAPPREPDPP4DPP7DPP8

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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