SCHEMBL12658427

SCHEMBL12658427

CC(NC(=O)C(N)Cc1c[nH]cn1)C(=O)NC(C)C(=O)N1CCCC1B(O)O

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FAP Q12884 14/20 0.49
▸ PREP P48147 12/20 0.49
▸ DPP8 Q6V1X1 5/20 0.48
▸ DPP9 Q86TI2 5/20 0.48
▸ DPP4 P27487 11/20 0.48
▸ DPP7 Q9UHL4 8/20 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
SCHEMBL12658520 0.93 DPP4 (0.49) FAPPREPDPP8DPP9DPP4
SCHEMBL13259716 0.92 DPP4 (0.44) FAPPREPDPP8DPP9DPP4
SCHEMBL13285550 0.91 DPP4 (0.43) FAPPREPDPP8DPP9DPP4
SCHEMBL13382235 0.86 DPP4 (0.47) FAPPREPDPP8DPP9DPP4
SCHEMBL18780167 0.85 DPP4 (0.39) FAPPREPDPP8DPP9DPP4
SCHEMBL29666757 0.76 ACE (0.50) —
SCHEMBL12658502 0.76 DPP4 (0.69) FAPPREPDPP8DPP9DPP4
SCHEMBL15386486 0.76 DPP4 (0.69) FAPPREPDPP8DPP9DPP4
SCHEMBL29973895 0.75 PSMB1 (0.35) —
SCHEMBL29592537 0.75 SLC6A2 (0.47) —

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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