SCHEMBL2760657

SCHEMBL2760657

COc1cc(C(=O)NCCc2cnc(C)nc2)cc(-c2ccc(C)cn2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 4/20 0.50
P2RX2 Q9UBL9 4/20 0.50
P2RX7 Q99572 1/20 0.48
MAPT P10636 3/20 0.47
TRPV1 Q8NER1 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
TP53 P04637 2/20 0.43
NPC1 O15118 2/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX12 P18054 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL2170510 0.85 P2RX3 (0.52) P2RX3P2RX2P2RX7TRPV1KMT2A
SCHEMBL2760599 0.85 P2RX3 (0.47) P2RX3P2RX2P2RX7MAPTTRPV1
SCHEMBL2760681 0.84 P2RX3 (0.46) P2RX3P2RX2P2RX7TRPV1NPC1
SCHEMBL2760581 0.83 P2RX3 (0.43) P2RX3P2RX2P2RX7MAPTTRPV1
SCHEMBL2760582 0.83 P2RX3 (0.43) P2RX3P2RX2P2RX7MAPTTRPV1
SCHEMBL2760575 0.81 P2RX3 (0.47) P2RX3P2RX2P2RX7TP53ALDH1A1
SCHEMBL2760722 0.80 P2RX3 (0.49) P2RX3P2RX2P2RX7MAPTPOLB
SCHEMBL2760721 0.80 P2RX3 (0.49) P2RX3P2RX2P2RX7MAPTPOLB
SCHEMBL2171270 0.79 P2RX3 (0.71) P2RX3P2RX2
SCHEMBL2171429 0.79 P2RX3 (0.46) P2RX3P2RX2P2RX7TRPV1NPC1

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