SCHEMBL6092096

SCHEMBL6092096

NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.67
DPP8 Q6V1X1 3/20 0.67
DPP9 Q86TI2 3/20 0.67
DPP7 Q9UHL4 3/20 0.67
FAP Q12884 2/20 0.67
TACR1 P25103 1/20 0.61
ACE P12821 3/20 0.59
OPRM1 P35372 1/20 0.58
F2 P00734 1/20 0.53
PRSS1 P07477 1/20 0.53

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
SCHEMBL29541867 1.00 DPP4 (0.67) DPP4DPP8DPP9DPP7FAP
SCHEMBL8862702 1.00 DPP4 (0.67) DPP4DPP8DPP9DPP7FAP
SCHEMBL6933624 1.00 DPP4 (0.67) DPP4DPP8DPP9DPP7FAP
Bromide SCHEMBL7274107 0.99 DPP4 (0.66) DPP4DPP8DPP9DPP7FAP
Hydrochloric Acid SCHEMBL6348160 0.99 DPP4 (0.66) DPP4DPP8DPP9DPP7FAP
Trifluoroacetic Acid SCHEMBL9551620 0.94 DPP4 (0.61) DPP4DPP8DPP9DPP7FAP
SCHEMBL5900809 0.91 ACE (0.70) DPP4DPP8DPP9DPP7FAP
SCHEMBL3726263 0.91 ACE (0.70) DPP4DPP8DPP9DPP7FAP
SCHEMBL7375090 0.91 ACE (0.70) DPP4DPP8DPP9DPP7FAP
SCHEMBL6436643 0.91 ACE (0.70) DPP4DPP8DPP9DPP7FAP

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
US-7112590-B2 Thrombin inhibitors LEK PHARMACEUTICALS D.D. (SI) 2006-09-26 US disclosed