SCHEMBL9237239

SCHEMBL9237239

N=C(N)NCCC[C@@H](N)C(=O)OC(=O)[C@H](N)CCCNC(=N)N

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 7/20 0.39
NPY1R P25929 5/20 0.39
DPP7 Q9UHL4 2/20 0.39
OTC P00480 1/20 0.38
ALOX15 P16050 1/20 0.38
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DDAH1 O94760 1/20 0.36
NPY2R P49146 4/20 0.36
NPY5R Q15761 4/20 0.36
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
RRM1 P23921 1/20 0.33

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
SCHEMBL28712062 1.00 NPY4R (0.39) NPY4RNPY1RDPP7OTCALOX15
SCHEMBL288133 1.00 NPY4R (0.39) NPY4RNPY1RDPP7OTCALOX15
Hydrochloric Acid SCHEMBL8039440 0.98 NPY4R (0.38) NPY4RNPY1RDPP7OTCALOX15
Hydrochloric Acid SCHEMBL8040222 0.98 NPY4R (0.38) NPY4RNPY1RDPP7OTCALOX15
SCHEMBL27722340 0.95 NPY4R (0.37) NPY4RNPY1RDPP7OTCALOX15
SCHEMBL16194087 0.95 NPY4R (0.38) NPY4RNPY1RDPP7OTCALOX15
SCHEMBL7061485 0.95 NPY4R (0.38) NPY4RNPY1RDPP7OTCALOX15
SCHEMBL3891500 0.94 NPY4R (0.36) NPY4RNPY1RDPP7OTCALOX15
SCHEMBL1840068 0.94 NPY4R (0.36) NPY4RNPY1RDPP7OTCALOX15
SCHEMBL769420 0.94 GNAI3 (0.40) NPY4RNPY1RDPP7OTCALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240269228-A1 SELECTIVE PENICILLAMINE SUBSTITUTION ENABLES DEVELOPMENT OF A POTENT ANALGESIC PEPTIDE THAT ACTS THROUGH A NON-OPIOID BASED MECHANISM UNIVERSITY OF UTAH RESEARCH FOUNDATION 2024-08-15 US disclosed
EP-4346868-A1 SELECTIVE PENICILLAMINE SUBSTITUTION ENABLES DEVELOPMENT OF A POTENT ANALGESIC PEPTIDE THAT ACTS THROUGH A NON-OPIOID BASED MECHANISM University of Utah Research Foundation (US) 2024-04-10 EP disclosed
WO-2022256066-A1 SELECTIVE PENICILLAMINE SUBSTITUTION ENABLES DEVELOPMENT OF A POTENT ANALGESIC PEPTIDE THAT ACTS THROUGH A NON-OPIOID BASED MECHANISM UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2022-12-08 WO disclosed
US-20210130806-A1 ENGINEERED BACTERIA EXPRESSING RACEMASE FOR TREATING DISEASES ASSOCIATED WITH HYPERAMMONEMIA SYNLOGIC OPERATING COMPANY, INC. 2021-05-06 US disclosed
CN-1809590-A Mediators of reverse cholesterol transport for the treatment of hypercholesterolemia AVANIR PHARMACEUTICALS (US) 2006-07-26 CN disclosed
US-5385940-A Treatment of stroke with nitric-oxide releasing compounds THE GENERAL HOSPITAL CORPORATION (US) 1995-01-31 US disclosed