SCHEMBL11296095

SCHEMBL11296095

C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(C(=N)NCCCCN)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.42
DPP4 P27487 2/20 0.39
DPP8 Q6V1X1 1/20 0.38
F2 P00734 5/20 0.37
FKBP1A P62942 1/20 0.37

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
SCHEMBL11267262 0.87 DPP4 (0.45) ACEDPP4DPP8F2FKBP1A
Hydrochloric Acid SCHEMBL11279921 0.86 DPP4 (0.45) ACEDPP4DPP8F2FKBP1A
SCHEMBL8377692 0.77 DPP4 (0.40) ACEDPP4F2
Sulfuric Acid SCHEMBL9554342 0.75 DPP4 (0.37) ACEDPP4F2
Hydrochloric Acid SCHEMBL11269585 0.74 DPP8 (0.48) ACEDPP4DPP8FKBP1A
SCHEMBL8182012 0.73 ACE (0.44) ACEDPP4DPP8
SCHEMBL7270568 0.71 ERAP2 (0.43) ACEDPP4DPP8F2
SCHEMBL11276879 0.70 DPP4 (0.50) ACEDPP4DPP8F2
Arginine SCHEMBL7271463 0.70 ERAP2 (0.40) ACEDPP4DPP8
Hydrochloric Acid SCHEMBL11261833 0.70 DPP4 (0.49) ACEDPP4DPP8F2

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-4346078-A Novel anticoagulant agmatine derivatives and process for the preparation thereof RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1982-08-24 US disclosed