SCHEMBL2172262

SCHEMBL2172262

Cc1ccc(-c2cc(C(=O)NCCc3cnc(C)nc3)cc(N3CCOCC3=O)c2)nc1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 16/20 0.53
P2RX2 Q9UBL9 16/20 0.53

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
SCHEMBL2170497 0.88 NPC1 (0.54) P2RX3P2RX2
SCHEMBL2171928 0.87 P2RX3 (0.51) P2RX3P2RX2
SCHEMBL2172253 0.82 P2RX3 (0.50) P2RX3P2RX2
SCHEMBL2170783 0.81 P2RX3 (0.42) P2RX3P2RX2
SCHEMBL2171271 0.80 P2RX3 (0.44) P2RX3P2RX2
SCHEMBL2760575 0.78 P2RX3 (0.47) P2RX3P2RX2
SCHEMBL2171732 0.78 NPC1 (0.53) P2RX3P2RX2
SCHEMBL2170510 0.77 P2RX3 (0.52) P2RX3P2RX2
SCHEMBL2183989 0.77 P2RX3 (0.46) P2RX3P2RX2
SCHEMBL2760657 0.76 P2RX3 (0.50) 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-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