SCHEMBL2277571

SCHEMBL2277571

CCCc1ncnn1-c1cc(C(=O)NCc2cnc(C)cn2)cc(-c2ccc(C)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 17/20 0.58
P2RX2 Q9UBL9 17/20 0.58

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
SCHEMBL2276652 0.91 P2RX3 (0.62) P2RX3P2RX2
SCHEMBL10244443 0.87 P2RX3 (0.57) P2RX3P2RX2
SCHEMBL2275247 0.87 P2RX3 (0.53) P2RX3P2RX2
SCHEMBL2274849 0.86 P2RX3 (0.62) P2RX3P2RX2
SCHEMBL2273728 0.86 P2RX3 (0.58) P2RX3P2RX2
SCHEMBL2275278 0.84 P2RX3 (0.62) P2RX3P2RX2
SCHEMBL2277572 0.84 P2RX3 (0.41) P2RX3P2RX2
SCHEMBL2273894 0.83 P2RX3 (0.59) P2RX3P2RX2
SCHEMBL2274696 0.83 P2RX3 (0.59) P2RX3P2RX2
SCHEMBL2272543 0.83 P2RX3 (0.58) 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