SCHEMBL3484490

SCHEMBL3484490

NCC(C(=O)O)C(=O)OCc1cccc2c1Cc1ccccc1-2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.54
HTR7 P34969 2/20 0.40
HTR2B P41595 2/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
DRD2 P14416 3/20 0.36
DRD4 P21917 2/20 0.36
DRD3 P35462 2/20 0.36
SLC1A3 P43003 3/20 0.36
SLC1A2 P43004 3/20 0.36
SLC1A1 P43005 3/20 0.36
KMT2A Q03164 2/20 0.35
SRD5A2 P31213 1/20 0.34
ADRA1D P25100 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MMP12 P39900 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
SCHEMBL28030549 0.90 PNMT (0.51) PNMTHTR7HTR2BNPC1RAB9A
SCHEMBL2489527 0.87 PNMT (0.48) PNMTHTR7HTR2BNPC1RAB9A
SCHEMBL31757158 0.87 PNMT (0.48) PNMTHTR7HTR2BNPC1RAB9A
Bromide SCHEMBL15671137 0.85 PNMT (0.54) PNMTHTR7HTR2BNPC1RAB9A
SCHEMBL8436619 0.83 PNMT (0.43) PNMTHTR7HTR2BNPC1RAB9A
SCHEMBL1830400 0.83 PNMT (0.55) PNMTHTR7HTR2BNPC1RAB9A
SCHEMBL7037299 0.82 PNMT (0.52) PNMTHTR7HTR2BNPC1RAB9A
Glycine SCHEMBL15362023 0.82 PNMT (0.56) PNMTHTR7HTR2BNPC1RAB9A
SCHEMBL27861228 0.82 PNMT (0.51) PNMTHTR7HTR2BNPC1RAB9A
SCHEMBL9188893 0.81 PNMT (0.49) PNMTHTR7HTR2BNPC1RAB9A

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-20100009860-A1 Device and method for analysis of interactions between biomolecules MAX-PLANCK-GESSELLSCHAFT ZUR FODERUNG DER WISSENSCHAFTEN E.V. (DE) 2010-01-14 US disclosed
EP-1766402-A2 DEVICE AND METHOD FOR ANALYSIS OF INTERACTIONS BETWEEN BIOMOLECULES Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. Berlin (DE) 2007-03-28 EP disclosed
WO-2006005519-A2 DEVICE AND METHOD FOR ANALYSIS OF INTERACTIONS BETWEEN BIOMOLECULES MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2006-01-19 WO disclosed
EP-1379881-B1 METHOD FOR DETERMINING THE SUBSTRATE SPECIFICITY OF AN ENZYMATIC ACTIVITY AND A DEVICE THEREFOR JERINI AG (DE) 2004-10-06 EP disclosed
EP-1379881-A2 METHOD FOR DETERMINING THE SUBSTRATE SPECIFICITY OF AN ENZYMATIC ACTIVITY AND A DEVICE THEREFOR Jerini AG (DE) 2004-01-14 EP disclosed
WO-2002083933-A2 METHOD FOR DETERMINING THE SUBSTRATE SPECIFICITY OF AN ENZYMATIC ACTIVITY AND A DEVICE THEREFOR JERINI AG (DE) 2002-10-24 WO disclosed