SCHEMBL11276879

SCHEMBL11276879

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

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.50
DPP8 Q6V1X1 2/20 0.50
DPP9 Q86TI2 2/20 0.50
DPP7 Q9UHL4 2/20 0.50
FAP Q12884 1/20 0.50
F2 P00734 2/20 0.48
OPRM1 P35372 4/20 0.48
OPRD1 P41143 2/20 0.46
OPRK1 P41145 1/20 0.46
ACE P12821 2/20 0.46

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 SCHEMBL11261833 0.99 DPP4 (0.49) DPP4DPP8DPP9DPP7FAP
Hydrochloric Acid SCHEMBL11278748 0.89 DPP8 (0.46) DPP4DPP8DPP9DPP7F2
Hydrochloric Acid SCHEMBL11261851 0.88 DPP8 (0.57) DPP4DPP8DPP9DPP7FAP
SCHEMBL7343548 0.85 DPP4 (0.53) DPP4DPP8DPP9DPP7FAP
SCHEMBL7343558 0.85 DPP4 (0.53) DPP4DPP8DPP9DPP7FAP
SCHEMBL30443402 0.79 F2 (0.69) F2OPRM1OPRD1OPRK1ACE
SCHEMBL29421094 0.79 F2 (0.69) F2OPRM1OPRD1OPRK1ACE
SCHEMBL21067756 0.79 DPP4 (0.61) DPP4DPP8DPP9DPP7FAP
SCHEMBL21067758 0.79 DPP4 (0.61) DPP4DPP8DPP9DPP7FAP
SCHEMBL8072499 0.78 DPP4 (0.60) 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-4346078-A Novel anticoagulant agmatine derivatives and process for the preparation thereof RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1982-08-24 US claimed