SCHEMBL23396232

SCHEMBL23396232

CCO[C@@H](CNC=O)COc1cc(C(=O)NCc2cnc(C(F)(F)F)nc2)cc(-c2ncc(C)s2)c1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 20/20 0.61
P2RX2 Q9UBL9 20/20 0.61

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
SCHEMBL23396412 0.89 P2RX3 (0.58) P2RX3P2RX2
SCHEMBL23396385 0.86 P2RX3 (0.74) P2RX3P2RX2
SCHEMBL23396189 0.85 P2RX3 (0.71) P2RX3P2RX2
SCHEMBL22852413 0.80 P2RX3 (0.67) P2RX3P2RX2
SCHEMBL23396285 0.79 P2RX3 (0.76) P2RX3P2RX2
SCHEMBL23396391 0.79 P2RX3 (0.74) P2RX3P2RX2
SCHEMBL22842730 0.78 P2RX3 (0.66) P2RX3P2RX2
SCHEMBL22842733 0.78 P2RX3 (0.65) P2RX3P2RX2
SCHEMBL23395959 0.77 P2RX3 (0.72) P2RX3P2RX2
SCHEMBL23396063 0.77 P2RX3 (0.68) 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