SCHEMBL12658491

SCHEMBL12658491

CCC(NC(=O)C1(NC(=O)C(N)C2CCCCC2)CCCC1)C(=O)N1CC[C@H]1B(O)O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 19/20 0.47
▸ DPP7 Q9UHL4 17/20 0.47
▸ FAP Q12884 14/20 0.47
▸ DPP8 Q6V1X1 14/20 0.47
▸ DPP9 Q86TI2 13/20 0.47
▸ PITRM1 Q5JRX3 5/20 0.41
▸ PREP P48147 4/20 0.38

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
SCHEMBL13263362 0.95 DPP4 (0.54) DPP4DPP7FAPDPP8DPP9
SCHEMBL15386545 0.95 DPP4 (0.54) DPP4DPP7FAPDPP8DPP9
SCHEMBL15386522 0.77 DPP4 (0.59) DPP4DPP7FAPDPP8DPP9
SCHEMBL13285559 0.77 DPP4 (0.59) DPP4DPP7FAPDPP8DPP9
SCHEMBL13259718 0.77 DPP4 (0.59) DPP4DPP7FAPDPP8DPP9
SCHEMBL15386519 0.76 DPP4 (0.47) DPP4DPP7FAPDPP8DPP9
SCHEMBL13285634 0.74 DPP4 (0.56) DPP4DPP7FAPDPP8DPP9
SCHEMBL13285822 0.74 DPP4 (0.64) DPP4DPP7FAPDPP8DPP9
SCHEMBL15386487 0.73 DPP4 (0.65) DPP4DPP7FAPDPP8DPP9
SCHEMBL13399328 0.73 DPP4 (0.65) DPP4DPP7FAPDPP8DPP9

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
EP-2319523-A1 Serine protease inhibitors Trustees Of Tufts College (US) 2011-05-11 — — EP disclosed
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