SCHEMBL2760841

SCHEMBL2760841

Cc1ccc(-c2cc(C(=O)NCCc3ccc(C)nc3)cc(C(O)c3ccccn3)c2)nc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.45
P2RX3 P56373 14/20 0.41
P2RX2 Q9UBL9 14/20 0.41
NR1I2 O75469 1/20 0.40
TP53 P04637 2/20 0.38
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL2760840 1.00 P2RX7 (0.45) P2RX7P2RX3P2RX2NR1I2TP53
SCHEMBL2760946 0.92 P2RX3 (0.46) P2RX7P2RX3P2RX2NR1I2TP53
SCHEMBL2760945 0.92 P2RX3 (0.46) P2RX7P2RX3P2RX2NR1I2TP53
SCHEMBL2760776 0.91 PSEN1 (0.41) P2RX3P2RX2TP53MAPTPOLB
SCHEMBL2760777 0.91 PSEN1 (0.41) P2RX3P2RX2TP53MAPTPOLB
SCHEMBL2760640 0.90 P2RX7 (0.47) P2RX7P2RX3P2RX2TP53MAPT
SCHEMBL2760639 0.90 P2RX7 (0.47) P2RX7P2RX3P2RX2TP53MAPT
SCHEMBL1495412 0.82 NR1I2 (0.52) P2RX3P2RX2NR1I2
SCHEMBL1495439 0.82 WDR5 (0.47) P2RX3P2RX2
SCHEMBL2760722 0.81 P2RX3 (0.49) P2RX7P2RX3P2RX2TP53MAPT

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 claimed
WO-2009110985-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2009-09-11 WO claimed