SCHEMBL7946499

SCHEMBL7946499

Cc1ccc(-c2cc(C(=O)N[C@@H](C)CO)cc(-c3cccc(F)c3F)c2)c(N)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 4/20 0.47
P2RX2 Q9UBL9 4/20 0.47
ALOX5AP P20292 1/20 0.43
FEN1 P39748 1/20 0.43
DYRK1A Q13627 1/20 0.42
CTSA P10619 1/20 0.41
ATM Q13315 1/20 0.41
MAP4K4 O95819 2/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL2384962 0.85 P2RX3 (0.46) P2RX3P2RX2ALOX5APFEN1DYRK1A
SCHEMBL7947388 0.84 P2RX3 (0.43) P2RX3P2RX2ALOX5APFEN1ATM
SCHEMBL2171499 0.82 P2RX3 (0.61) P2RX3P2RX2
SCHEMBL7946500 0.79 P2RX3 (0.47) P2RX3P2RX2
SCHEMBL7947489 0.72 P2RX3 (0.50) P2RX3P2RX2CTSA
SCHEMBL7941678 0.71 P2RX3 (0.67) P2RX3P2RX2
SCHEMBL1495761 0.71 P2RX3 (0.47) P2RX3P2RX2CTSA
SCHEMBL409775 0.71 P2RX3 (0.52) P2RX3P2RX2ALOX5APFEN1
SCHEMBL13205459 0.71 P2RX3 (0.52) P2RX3P2RX2ALOX5APFEN1
SCHEMBL13014871 0.70 P2RX3 (0.54) P2RX3P2RX2

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-2010033168-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2010-03-25 WO disclosed