SCHEMBL2170510

SCHEMBL2170510

Cc1ccc(-c2cc(Br)cc(C(=O)NCCc3cnc(C)nc3)c2)nc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 9/20 0.52
P2RX2 Q9UBL9 9/20 0.52
P2RX7 Q99572 2/20 0.49
KMT2A Q03164 2/20 0.42
WDR5 P61964 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL2760657 0.85 P2RX3 (0.50) P2RX3P2RX2P2RX7KMT2ATRPV1
SCHEMBL2760575 0.82 P2RX3 (0.47) P2RX3P2RX2P2RX7
SCHEMBL2760721 0.81 P2RX3 (0.49) P2RX3P2RX2P2RX7NPC1RAB9A
SCHEMBL2760722 0.81 P2RX3 (0.49) P2RX3P2RX2P2RX7NPC1RAB9A
SCHEMBL2173301 0.81 P2RX3 (0.52) P2RX3P2RX2WDR5
SCHEMBL2171270 0.81 P2RX3 (0.71) P2RX3P2RX2
SCHEMBL2760599 0.79 P2RX3 (0.47) P2RX3P2RX2P2RX7TRPV1NPC1
SCHEMBL2171429 0.79 P2RX3 (0.46) P2RX3P2RX2P2RX7TRPV1NPC1
SCHEMBL2760945 0.79 P2RX3 (0.46) P2RX3P2RX2P2RX7NPC1RAB9A
SCHEMBL2170497 0.79 NPC1 (0.54) P2RX3P2RX2NPC1RAB9A

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-2346825-A2 MODULATORS OF P2X3 RECEPTOR ACTIVITY Evotec AG (DE) 2011-07-27 EP disclosed
WO-2010033168-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2010-03-25 WO disclosed