SCHEMBL12784133

SCHEMBL12784133

NC(=O)[C@@]12C[C@H]1/C=C\CCCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N2

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 15/20 0.33
▸ DPP4 P27487 4/20 0.32

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
SCHEMBL8006962 0.92 DPP4 (0.34) MEN1DPP4
SCHEMBL13071410 0.89 ALOX15 (0.37) MEN1DPP4
SCHEMBL8249373 0.86 DPP4 (0.37) MEN1DPP4
SCHEMBL13435865 0.86 PSMB9 (0.32) —
SCHEMBL11976283 0.85 CTSB (0.41) —
SCHEMBL8237929 0.85 DPP4 (0.34) DPP4
Hydrochloric Acid SCHEMBL4522873 0.84 CTSB (0.41) —
Hydrochloric Acid SCHEMBL1683100 0.84 CTSB (0.41) —
SCHEMBL8237322 0.83 CTSB (0.34) MEN1
SCHEMBL13071881 0.83 CYP3A4 (0.37) MEN1

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-2305698-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 — — EP disclosed
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