SCHEMBL11267262

SCHEMBL11267262

N=C(NCCCCN)N(C(=O)[C@@H]1CCCN1C(=O)CN)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.45
F2 P00734 3/20 0.41
DPP8 Q6V1X1 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
FKBP1A P62942 3/20 0.39
ACE P12821 1/20 0.38
NTMT1 Q9BV86 1/20 0.37
EPHX2 P34913 2/20 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
Hydrochloric Acid SCHEMBL11279921 0.99 DPP4 (0.45) DPP4F2DPP8DPP7FKBP1A
SCHEMBL11296095 0.87 ACE (0.42) DPP4F2DPP8FKBP1AACE
Hydrochloric Acid SCHEMBL11269585 0.86 DPP8 (0.48) DPP4DPP8DPP7FKBP1AACE
SCHEMBL9218974 0.74 DPP4 (0.44) DPP4F2DPP8DPP7FKBP1A
SCHEMBL4275067 0.73 DPP4 (0.46) DPP4DPP8DPP7ACE
SCHEMBL15778534 0.71 DPP4 (0.44) DPP4F2DPP8DPP7ACE
SCHEMBL24322769 0.69 NPSR1 (0.45) DPP4F2DPP8FKBP1A
SCHEMBL5033179 0.69 ITGB1 (0.57) DPP4F2FKBP1ANTMT1
SCHEMBL5040618 0.69 ITGB1 (0.57) DPP4F2FKBP1ANTMT1
SCHEMBL5036215 0.69 ITGB1 (0.57) DPP4F2FKBP1ANTMT1

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 claimed