SCHEMBL2760945

SCHEMBL2760945

Cc1ccc(-c2cc(C(=O)NCCc3cnc(C)nc3)cc([C@@H](O)c3ccccn3)c2)nc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 14/20 0.46
P2RX2 Q9UBL9 13/20 0.46
P2RX7 Q99572 2/20 0.46
NR1I2 O75469 1/20 0.40
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CYP2C9 P11712 1/20 0.37
UGT1A1 P22309 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
SCHEMBL2760946 1.00 P2RX3 (0.46) P2RX3P2RX2P2RX7NR1I2TP53
SCHEMBL2760840 0.92 P2RX7 (0.45) P2RX3P2RX2P2RX7NR1I2TP53
SCHEMBL2760841 0.92 P2RX7 (0.45) P2RX3P2RX2P2RX7NR1I2TP53
SCHEMBL2760721 0.89 P2RX3 (0.49) P2RX3P2RX2P2RX7TP53MAPT
SCHEMBL2760722 0.89 P2RX3 (0.49) P2RX3P2RX2P2RX7TP53MAPT
SCHEMBL2761210 0.84 P2RX3 (0.47) P2RX3P2RX2P2RX7NR1I2NPC1
SCHEMBL2761211 0.84 P2RX3 (0.47) P2RX3P2RX2P2RX7NR1I2NPC1
SCHEMBL1495443 0.83 P2RX3 (0.51) P2RX3P2RX2NR1I2CYP2C9UGT1A1
SCHEMBL2760776 0.82 PSEN1 (0.41) P2RX3P2RX2TP53MAPTNPC1
SCHEMBL2760777 0.82 PSEN1 (0.41) P2RX3P2RX2TP53MAPTNPC1

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