SCHEMBL29441123

SCHEMBL29441123

Cc1cnc(-c2ccc(OCC3(F)CCCN(C)C3)c(C(=O)N[C@H](C)c3cnc(C(F)(F)F)nc3)c2)s1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 20/20 0.77
P2RX2 Q9UBL9 20/20 0.77

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
SCHEMBL23111491 0.87 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL17823525 0.87 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL30092176 0.87 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL29441185 0.79 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL17823605 0.79 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL21056524 0.79 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL29441177 0.79 P2RX3 (0.76) P2RX3P2RX2
SCHEMBL28480279 0.77 P2RX3 (0.81) P2RX3P2RX2
SCHEMBL17824232 0.77 P2RX3 (0.81) P2RX3P2RX2
SCHEMBL31236733 0.76 P2RX3 (0.56) 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-3587417-B9 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES BAYER AG (DE) 2022-03-30 EP disclosed