SCHEMBL4959205

SCHEMBL4959205

CC[C@H](C)[C@H](N)C(=O)C(=O)C1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.44
DPP8 Q6V1X1 7/20 0.43
DPP9 Q86TI2 7/20 0.43
DPP7 Q9UHL4 5/20 0.43
FAP Q12884 2/20 0.43
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40

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
SCHEMBL1024006 0.81 DPP4 (0.47) DPP4DPP8DPP9DPP7FAP
Hydrochloric Acid SCHEMBL389541 0.80 DPP4 (0.46) DPP4DPP8DPP9DPP7FAP
SCHEMBL13967791 0.73 CES2 (0.46) CES2CES1
SCHEMBL13967805 0.72 CES2 (0.50) CES2CES1
SCHEMBL13967804 0.72 CES2 (0.50) CES2CES1
Isoleucine SCHEMBL28238226 0.70 DPP4 (0.49) DPP4DPP8DPP9DPP7FAP
SCHEMBL13086679 0.70 EPHX1 (0.46) DPP4DPP8DPP9DPP7FAP
SCHEMBL1952567 0.70 EPHX1 (0.50) DPP4DPP8DPP9DPP7FAP
SCHEMBL28915740 0.70 DPP4 (0.46) DPP4DPP8DPP9DPP7FAP
SCHEMBL16204545 0.70 DPP4 (0.50) DPP4DPP8DPP9DPP7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368421-B2 Use of dipeptidyl peptidase IV inhibitors in the treatment of multiple sclerosis PROBIODRUG AG (DE) 2008-05-06 US disclosed
EP-1399471-B1 USE OF DIPEPTIDYL PEPTIDASE IV INHIBITORS AS THERAPEUTICS FOR NEUROLOGICAL DISORDERS PROBIODRUG AG (DE) 2008-01-30 EP disclosed