SCHEMBL5015217

SCHEMBL5015217

C=C(C)C(=O)NC(=O)[C@@H](N)CCCNC(=N)N

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 2/20 0.42
NPY4R P50391 11/20 0.41
NPY1R P25929 6/20 0.41
NPY2R P49146 4/20 0.41
NPY5R Q15761 4/20 0.41
SLC15A1 P46059 1/20 0.39
GNAI3 P08754 1/20 0.38
GNAO1 P09471 1/20 0.38
GNAI1 P63096 1/20 0.38
RRM1 P23921 1/20 0.36
DDAH1 O94760 1/20 0.34
OTC P00480 1/20 0.33
ALOX15 P16050 1/20 0.32

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 SCHEMBL5015231 0.99 DPP7 (0.41) DPP7NPY4RNPY1RNPY2RNPY5R
SCHEMBL14771593 0.82 DPP7 (0.39) DPP7NPY4RNPY1RNPY2RNPY5R
SCHEMBL21051895 0.82 NPY4R (0.36) DPP7NPY4RNPY1RNPY2RNPY5R
SCHEMBL5015214 0.81 DPP7 (0.46) DPP7NPY4RNPY1RNPY2RNPY5R
Hydrochloric Acid SCHEMBL28039530 0.81 NPY4R (0.36) DPP7NPY4RNPY1RNPY2RNPY5R
SCHEMBL15248878 0.80 DPP7 (0.44) DPP7NPY4RNPY1RNPY2RNPY5R
Hydrochloric Acid SCHEMBL5015230 0.80 DPP7 (0.45) DPP7NPY4RNPY1RNPY2RNPY5R
SCHEMBL16176238 0.80 ALOX15 (0.40) DPP7ALOX15
SCHEMBL28290569 0.80 ALOX15 (0.43) DPP7ALOX15
Arginine SCHEMBL21051898 0.79 DDAH1 (0.47) DDAH1OTC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3973934-B1 POLYCATIONIC POLYMER, COMPOSITION COMPRISING THE POLYCATIONIC POLYMER, AND PRODUCT, COMPRISING AN ACTIVE SURFACE, PROVIDED WITH THE POLYCATIONIC POLYMER COBATT (NL) 2023-12-20 EP disclosed
EP-1156031-B1 NOVEL COMPOUND, POLYMER PREPARED FROM THE COMPOUND, AND COMPOSITION COMPRISING THE POLYMER POLA CHEM IND INC (JP) 2008-09-17 EP disclosed
US-6703468-B1 COMPOSITION FOR TOPICAL ADMINISTRATION TO SKIN OR HAIR COMPRISING SUITABLE CARRIER AND EFFECTIVE AMOUNT OF SPECIFIED POLYMER WHICH HAS BENEFICIAL EFFECTS ON SKIN FUNCTIONS POLA CHEMICAL INDUSTRIES INC. (JP) 2004-03-09 US disclosed
EP-1156031-A1 NOVEL COMPOUND, POLYMER PREPARED FROM THE COMPOUND, AND COMPOSITION COMPRISING THE POLYMER POLA CHEMICAL INDUSTRIES, INC. (JP) 2001-11-21 EP disclosed