SCHEMBL7947388

SCHEMBL7947388

Cc1ccc(-c2cc(C(=O)N[C@@H](C)CO)cc(-c3ccccc3CO)c2)c(N)c1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 7/20 0.43
P2RX2 Q9UBL9 7/20 0.43
ATM Q13315 1/20 0.42
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
MAP4K4 O95819 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
SCHEMBL2381997 0.85 P2RX3 (0.41) P2RX3P2RX2ATM
SCHEMBL7946499 0.84 P2RX3 (0.47) P2RX3P2RX2ATMALOX5APFEN1
SCHEMBL2172368 0.82 P2RX3 (0.63) P2RX3P2RX2
SCHEMBL7950971 0.81 EGFR (0.39) ATM
SCHEMBL7946500 0.80 P2RX3 (0.47) P2RX3P2RX2
SCHEMBL7941678 0.72 P2RX3 (0.67) P2RX3P2RX2
SCHEMBL1495761 0.72 P2RX3 (0.47) P2RX3P2RX2
SCHEMBL12757521 0.70 P2RX3 (0.59) P2RX3P2RX2
SCHEMBL13753576 0.70 ATM (0.73) ATMMAP4K4
SCHEMBL2384962 0.69 P2RX3 (0.46) P2RX3P2RX2ATMALOX5APFEN1

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