SCHEMBL2271913

SCHEMBL2271913

Cc1ccc(-c2cc(C(=O)NCc3ccc(C)nn3)cc(-n3nncc3C(F)(F)F)c2)nc1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 17/20 0.60
P2RX2 Q9UBL9 17/20 0.60

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
SCHEMBL12225918 0.89 P2RX3 (0.61) P2RX3P2RX2
SCHEMBL357414 0.88 P2RX3 (0.61) P2RX3P2RX2
SCHEMBL2274880 0.87 P2RX3 (0.62) P2RX3P2RX2
SCHEMBL357080 0.81 P2RX3 (0.61) P2RX3P2RX2
SCHEMBL358916 0.79 P2RX3 (0.60) P2RX3P2RX2
SCHEMBL4155606 0.78 P2RX3 (0.62) P2RX3P2RX2
SCHEMBL4161780 0.78 P2RX3 (0.63) P2RX3P2RX2
SCHEMBL2274402 0.77 P2RX3 (0.60) P2RX3P2RX2
SCHEMBL358513 0.76 P2RX3 (0.56) P2RX3P2RX2
SCHEMBL2271155 0.76 P2RX3 (0.62) 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