SCHEMBL2276465

SCHEMBL2276465

Cc1ccc(-c2cc(C(=O)NC3CC3)cc(-n3ncnc3C)c2)nc1.Cc1cnc(CN)cn1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 15/20 0.51
P2RX2 Q9UBL9 15/20 0.51

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
SCHEMBL2279648 0.90 P2RX3 (0.60) P2RX3P2RX2
SCHEMBL2276461 0.89 P2RX3 (0.51) P2RX3P2RX2
SCHEMBL2276438 0.84 P2RX3 (0.65) P2RX3P2RX2
SCHEMBL2274823 0.81 P2RX3 (0.56) P2RX3P2RX2
SCHEMBL2277336 0.81 P2RX3 (0.56) P2RX3P2RX2
SCHEMBL2276299 0.80 P2RX3 (0.57) P2RX3P2RX2
SCHEMBL2279542 0.80 P2RX3 (0.56) P2RX3P2RX2
SCHEMBL2275969 0.79 P2RX3 (0.58) P2RX3P2RX2
SCHEMBL2271127 0.79 P2RX3 (0.56) P2RX3P2RX2
SCHEMBL2274925 0.77 P2RX3 (0.65) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989637-B2 Triazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2011-08-02 US claimed