SCHEMBL2170842

SCHEMBL2170842

Cc1ccc(-c2cc(C(=O)NC[C@H](C)O)cc(-c3cnccc3C#N)c2)nc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 10/20 0.43
P2RX2 Q9UBL9 10/20 0.43
ACVR1B P36896 2/20 0.40
TGFBR1 P36897 2/20 0.40
NR1I2 O75469 1/20 0.39
ABL1 P00519 1/20 0.38
P2RX7 Q99572 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
SCHEMBL2170838 0.85 P2RX3 (0.58) P2RX3P2RX2
SCHEMBL2173507 0.83 WDR5 (0.49) P2RX3P2RX2
SCHEMBL2171429 0.83 P2RX3 (0.46) P2RX3P2RX2P2RX7
SCHEMBL2171425 0.82 NR1I2 (0.48) P2RX3P2RX2NR1I2
SCHEMBL2171681 0.75 P2RX3 (0.61) P2RX3P2RX2
SCHEMBL3660372 0.75 P2RX3 (0.45) P2RX3P2RX2
SCHEMBL14837447 0.74 P2RX3 (0.45) P2RX3P2RX2NR1I2
SCHEMBL638720 0.74 P2RX3 (0.74) P2RX3P2RX2NR1I2
SCHEMBL2171464 0.73 P2RX3 (0.51) P2RX3P2RX2NR1I2
SCHEMBL2171775 0.73 P2RX3 (0.43) 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