SCHEMBL29618652

SCHEMBL29618652

Cc1cnc(-c2cc(C(=O)N[C@H](C)c3cnc(C(F)(F)F)nc3)cc(C(C)(C)O)c2)s1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 20/20 0.73
P2RX2 Q9UBL9 20/20 0.73

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
SCHEMBL28758890 1.00 P2RX3 (0.73) P2RX3P2RX2
SCHEMBL28758891 1.00 P2RX3 (0.73) P2RX3P2RX2
SCHEMBL30491097 0.87 P2RX3 (0.73) P2RX3P2RX2
SCHEMBL30092072 0.87 P2RX3 (0.73) P2RX3P2RX2
SCHEMBL21875573 0.87 P2RX3 (0.73) P2RX3P2RX2
SCHEMBL28758893 0.87 P2RX3 (0.73) P2RX3P2RX2
SCHEMBL17824236 0.87 P2RX3 (0.73) P2RX3P2RX2
SCHEMBL28758889 0.87 P2RX3 (0.73) P2RX3P2RX2
SCHEMBL25966121 0.87 P2RX3 (0.80) P2RX3P2RX2
SCHEMBL31236735 0.86 P2RX3 (0.70) 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
CN-114591317-A P2X3 inhibitors and uses thereof 武汉人福创新药物研发中心有限公司 2022-06-07 CN disclosed