SCHEMBL2276142

SCHEMBL2276142

Cc1ccc(-c2cc(C(=O)N[C@@H](C)CO)cc(-n3nccc3C(F)(F)F)c2)nc1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 13/20 0.60
P2RX2 Q9UBL9 13/20 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
SCHEMBL2272068 0.88 P2RX3 (0.59) P2RX3P2RX2
SCHEMBL27830176 0.88 P2RX3 (0.59) P2RX3P2RX2
SCHEMBL4155507 0.86 P2RX3 (0.62) P2RX3P2RX2
SCHEMBL13774509 0.86 P2RX3 (0.62) P2RX3P2RX2
SCHEMBL2271040 0.85 P2RX3 (0.60) P2RX3P2RX2
SCHEMBL4155515 0.85 P2RX3 (0.61) P2RX3P2RX2
SCHEMBL4160076 0.85 P2RX3 (0.63) P2RX3P2RX2
SCHEMBL27769417 0.83 P2RX3 (0.57) P2RX3P2RX2
SCHEMBL4322514 0.83 P2RX3 (0.57) P2RX3P2RX2
SCHEMBL2273116 0.83 P2RX3 (0.60) 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