SCHEMBL638720

SCHEMBL638720

Cc1ccc(-c2cc(C(=O)NC[C@@H](C)O)cc(-c3nsnc3C(C)C)c2)nc1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 13/20 0.74
P2RX2 Q9UBL9 13/20 0.74
NR1I2 O75469 2/20 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
SCHEMBL639691 0.85 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL638719 0.84 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL638758 0.83 P2RX3 (0.71) P2RX3P2RX2NR1I2
SCHEMBL640133 0.83 P2RX3 (0.70) P2RX3P2RX2NR1I2
SCHEMBL2171464 0.76 P2RX3 (0.51) P2RX3P2RX2NR1I2
SCHEMBL3660372 0.76 P2RX3 (0.45) P2RX3P2RX2
SCHEMBL14837447 0.75 P2RX3 (0.45) P2RX3P2RX2NR1I2
SCHEMBL2170842 0.74 P2RX3 (0.43) P2RX3P2RX2NR1I2
SCHEMBL18652127 0.72 P2RX3 (0.72) P2RX3P2RX2
SCHEMBL15936386 0.72 P2RX3 (0.44) P2RX3P2RX2NR1I2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119644-B2 Thiadiazole-substituted arylamides as P2X3 and P2X2/3 antagonists Roche Palo Alto LLP (US) 2012-02-21 US claimed