SCHEMBL4775852

SCHEMBL4775852

CC(C)C[C@H](N)C(=O)OC(=O)[C@@H](N)CC(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.48
SLC1A3 P43003 3/20 0.38
SLC1A2 P43004 3/20 0.38
ANPEP P15144 6/20 0.37
RNPEP Q9H4A4 3/20 0.37
DNPEP Q9ULA0 2/20 0.37
CACNA2D1 P54289 2/20 0.34
CACNB3 P54284 1/20 0.34
CACNA1C Q13936 1/20 0.34
PGR P06401 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34
CACNA2D2 Q9NY47 1/20 0.34
LAP3 P28838 4/20 0.33
ERAP1 Q9NZ08 1/20 0.33
FOLH1 Q04609 1/20 0.33
SLC1A1 P43005 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 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
SCHEMBL6130798 1.00 SLC7A5 (0.48) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL4958595 1.00 SLC7A5 (0.48) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL9100153 0.89 SLC7A5 (0.58) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL995721 0.89 SLC7A5 (0.58) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL995487 0.87 ALOX15 (0.36) ALDH1A1
SCHEMBL27906557 0.87 ALOX15 (0.36) ALDH1A1
SCHEMBL11061010 0.87 ALOX15 (0.36) ALDH1A1
SCHEMBL14486118 0.86 CHRNB2 (0.33) SLC7A5
SCHEMBL8679062 0.86 CHRNB2 (0.33) SLC7A5
SCHEMBL4867035 0.84 SLC7A5 (0.48) SLC7A5SLC1A3SLC1A2ANPEPRNPEP

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
EP-3737420-A2 STEROIDS AND ANTIBODY-CONJUGATES THEREOF Regeneron Pharmaceuticals, Inc. (US) 2020-11-18 EP disclosed
WO-2019136487-A2 STEROIDS AND ANTIBODY-CONJUGATES THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2019-07-11 WO disclosed
EP-2729570-A2 REAGENT USABLE FOR THE ISOLATION AND/OR PURIFICATION OF NUCLEIC ACIDS Qiagen GmbH (DE) 2014-05-14 EP disclosed
WO-2013004710-A2 REAGENT USABLE FOR THE ISOLATION AND/OR PURIFICATION OF NUCLEIC ACIDS QIAGEN GMBH (DE) 2013-01-10 WO disclosed
EP-1957458-A2 5-(ARYLSULFONYL)-PYRAZOLOPIPERIDINES Elan Pharmaceuticals Inc. (US) 2008-08-20 EP disclosed
WO-2007064914-A2 5-(ARYLSULFONYL)-PYRAZOLOPIPERIDINES ELAN PHARMACEUTICALS, INC. (US) 2007-06-07 WO disclosed