SCHEMBL12784272

SCHEMBL12784272

C=CCCCCC[C@H](N)C(=O)N1CCC[C@H]1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 12/20 0.46
DPP4 P27487 11/20 0.46
DPP8 Q6V1X1 8/20 0.46
DPP9 Q86TI2 6/20 0.46
FAP Q12884 5/20 0.46
REN P00797 1/20 0.36
ACE P12821 1/20 0.36

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
SCHEMBL12070944 0.88 ACE (0.36) DPP4RENACE
SCHEMBL11939488 0.84 TRHR (0.35) DPP4RENACE
SCHEMBL29406923 0.83 DPP7 (0.65) DPP7DPP4DPP8DPP9FAP
Hydrochloric Acid SCHEMBL11330390 0.82 DPP4 (0.57) DPP7DPP4DPP8DPP9FAP
SCHEMBL22872683 0.80 DPP4 (0.65) DPP7DPP4DPP8DPP9FAP
SCHEMBL7932659 0.79 HTR1A (0.50) DPP4
Hydrochloric Acid SCHEMBL7409750 0.79 DPP4 (0.64) DPP7DPP4DPP8DPP9FAP
SCHEMBL13071463 0.79 DPP4 (0.39) DPP7DPP4DPP8DPP9FAP
Bromide SCHEMBL7279605 0.79 DPP4 (0.64) DPP7DPP4DPP8DPP9FAP
SCHEMBL12771027 0.78 HDAC4 (0.41) DPP4DPP8ACE

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