SCHEMBL2760640

SCHEMBL2760640

Cc1ccc(-c2cc(C(=O)NCCc3ccc(C)nc3)cc(C(O)c3ccccc3)c2)nc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.47
P2RX3 P56373 12/20 0.43
P2RX2 Q9UBL9 12/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 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
SCHEMBL2760639 1.00 P2RX7 (0.47) P2RX7P2RX3P2RX2MAPTTP53
SCHEMBL2760722 0.91 P2RX3 (0.49) P2RX7P2RX3P2RX2MAPTTP53
SCHEMBL2760721 0.91 P2RX3 (0.49) P2RX7P2RX3P2RX2MAPTTP53
SCHEMBL2760883 0.90 NPC1 (0.46) P2RX3P2RX2MAPTTP53NPC1
SCHEMBL2760882 0.90 NPC1 (0.46) P2RX3P2RX2MAPTTP53NPC1
SCHEMBL2760840 0.90 P2RX7 (0.45) P2RX7P2RX3P2RX2MAPTTP53
SCHEMBL2760841 0.90 P2RX7 (0.45) P2RX7P2RX3P2RX2MAPTTP53
SCHEMBL2760834 0.83 P2RX7 (0.41) P2RX7P2RX3P2RX2
SCHEMBL2761013 0.81 P2RX7 (0.47) P2RX7P2RX3P2RX2NPC1RAB9A
SCHEMBL1495682 0.81 NR1I2 (0.55) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2262766-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF Renovis, Inc. (US) 2010-12-22 EP disclosed
WO-2009110985-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2009-09-11 WO disclosed