SCHEMBL13263356

SCHEMBL13263356

CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C1CCCCC1)C(=O)NC

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 5/20 0.45
▸ DPP8 Q6V1X1 3/20 0.45
▸ DPP7 Q9UHL4 2/20 0.45
▸ DPP9 Q86TI2 2/20 0.45
▸ FAP Q12884 1/20 0.45
▸ FKBP5 Q13451 4/20 0.44
▸ XIAP P98170 1/20 0.42
▸ MMP1 P03956 2/20 0.41
▸ MMP3 P08254 2/20 0.41
▸ MMP13 P45452 2/20 0.41
▸ ADAM17 P78536 2/20 0.41
▸ OPRM1 P35372 2/20 0.40
▸ FKBP1A P62942 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ OPRK1 P41145 1/20 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
SCHEMBL15386493 0.86 DPP4 (0.46) DPP4DPP8DPP7DPP9FAP
SCHEMBL24440806 0.83 DPP4 (0.56) DPP4DPP8DPP7DPP9FAP
SCHEMBL12658501 0.83 DPP4 (0.65) DPP4DPP8DPP7DPP9FAP
SCHEMBL13399328 0.83 DPP4 (0.65) DPP4DPP8DPP7DPP9FAP
SCHEMBL15386487 0.83 DPP4 (0.65) DPP4DPP8DPP7DPP9FAP
SCHEMBL15712090 0.82 DPP4 (0.41) DPP4DPP8DPP7DPP9FAP
SCHEMBL15028072 0.81 DPP4 (0.58) DPP4DPP8DPP7DPP9FAP
SCHEMBL13285635 0.81 DPP4 (0.45) DPP4DPP8DPP7DPP9FAP
SCHEMBL13285822 0.80 DPP4 (0.64) DPP4DPP8DPP7DPP9FAP
SCHEMBL8246705 0.80 DPP4 (0.43) DPP4DPP8DPP7DPP9FAP

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-2204181-A2 Protease inhibitors Trustees of Tufts College (US) 2010-07-07 — — EP disclosed
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