SCHEMBL23396138

SCHEMBL23396138

CCc1cnc(-c2cc(OCC3CCCO3)cc(C(=O)OC)c2)s1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 20/20 0.69
P2RX2 Q9UBL9 20/20 0.69

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
SCHEMBL17824019 1.00 P2RX3 (0.69) P2RX3P2RX2
SCHEMBL17823887 1.00 P2RX3 (0.69) P2RX3P2RX2
SCHEMBL30092054 0.90 P2RX3 (0.68) P2RX3P2RX2
SCHEMBL30092228 0.90 P2RX3 (0.68) P2RX3P2RX2
SCHEMBL23395947 0.90 P2RX3 (0.68) P2RX3P2RX2
SCHEMBL17823677 0.90 P2RX3 (0.68) P2RX3P2RX2
SCHEMBL17823873 0.90 P2RX3 (0.68) P2RX3P2RX2
SCHEMBL17824168 0.90 P2RX3 (0.72) P2RX3P2RX2
SCHEMBL17823620 0.90 P2RX3 (0.72) P2RX3P2RX2
SCHEMBL23395949 0.88 P2RX3 (0.69) 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