SCHEMBL7939396

SCHEMBL7939396

Cc1ccc(-c2cc(C(=O)NCc3ccc(C)nc3)cc(N3CCN(C)CC3=O)c2)c(N)c1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 12/20 0.41
P2RX2 Q9UBL9 12/20 0.41
WDR5 P61964 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
PIK3CA P42336 1/20 0.37
KDM1A O60341 1/20 0.37
HDAC1 Q13547 1/20 0.37

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
SCHEMBL2185268 0.89 P2RX3 (0.49) P2RX3P2RX2WDR5L3MBTL1PIK3CA
SCHEMBL2185316 0.89 P2RX3 (0.39) P2RX3P2RX2WDR5L3MBTL1PIK3CA
SCHEMBL7950915 0.86 WDR5 (0.43) P2RX3P2RX2WDR5PIK3CAKDM1A
SCHEMBL7947046 0.78 P2RX3 (0.50) P2RX3P2RX2WDR5
SCHEMBL2185262 0.77 P2RX3 (0.51) P2RX3P2RX2WDR5L3MBTL1
SCHEMBL2171537 0.77 P2RX3 (0.51) P2RX3P2RX2WDR5L3MBTL1
SCHEMBL7997679 0.77 WDR5 (0.43) P2RX3P2RX2WDR5PIK3CAKDM1A
SCHEMBL2185479 0.76 WDR5 (0.41) P2RX3P2RX2WDR5
SCHEMBL8011606 0.75 WDR5 (0.45) P2RX3P2RX2WDR5PIK3CAKDM1A
SCHEMBL2186337 0.75 P2RX3 (0.49) P2RX3P2RX2WDR5PIK3CAHDAC1

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