SCHEMBL23396149

SCHEMBL23396149

CCc1cnc(-c2cc(OCC3CCCO3)cc(C(=O)NCc3cnc(C(F)(F)F)nc3)c2)s1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 20/20 0.76
P2RX2 Q9UBL9 20/20 0.76

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
SCHEMBL23396354 1.00 P2RX3 (0.76) P2RX3P2RX2
SCHEMBL23396301 0.90 P2RX3 (0.79) P2RX3P2RX2
SCHEMBL23396407 0.89 P2RX3 (0.75) P2RX3P2RX2
SCHEMBL23396170 0.89 P2RX3 (0.75) P2RX3P2RX2
SCHEMBL17824024 0.87 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL17832623 0.87 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL17823587 0.87 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL19950331 0.87 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL21056538 0.87 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL30091968 0.87 P2RX3 (1.00) 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
EP-3230281-B1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES BAYER AG (DE) 2021-05-26 EP disclosed