SCHEMBL5814047

SCHEMBL5814047

NC(=O)C=CC(N)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 2/20 0.53
ALPI P09923 1/20 0.52
PKM P14618 1/20 0.52
PTGS1 P23219 1/20 0.52
XIAP P98170 1/20 0.52
SLC7A5 Q01650 1/20 0.52
EPHX1 P07099 2/20 0.47
SLC1A3 P43003 2/20 0.47
SLC1A2 P43004 2/20 0.47
SLC1A1 P43005 2/20 0.47
CYP1A2 P05177 1/20 0.46
LAP3 P28838 3/20 0.44
ANPEP P15144 1/20 0.44
SRR Q9GZT4 1/20 0.43
LTA4H P09960 1/20 0.42
TAAR1 Q96RJ0 2/20 0.42
MAOA P21397 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42

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
SCHEMBL5914363 0.87 SLC15A1 (0.68) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL5744716 0.87 SLC15A1 (0.68) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL5914364 0.87 SLC15A1 (0.68) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL5744720 0.87 SLC15A1 (0.68) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL2348815 0.83 ERAP1 (0.47) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL7307677 0.80 EPHX1 (0.61) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL902538 0.80 EPHX1 (0.61) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL902546 0.80 EPHX1 (0.61) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL2736329 0.80 EPHX1 (0.61) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL15756473 0.79 SLC15A1 (0.58) SLC15A1ALPIPKMPTGS1XIAP

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
WO-2006098554-A1 NOVEL COMPOUNDS, ISOMER THEREOF OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2006-09-21 WO disclosed