SCHEMBL30092003

SCHEMBL30092003

COC1(Oc2cc(C(=O)N[C@H](C)c3cnc(C(F)(F)F)nc3)cc(-c3ncc(C)s3)c2)COC1

nearest known ligand 0.83

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 20/20 0.83
P2RX2 Q9UBL9 20/20 0.83
CYP2C9 P11712 2/20 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
SCHEMBL28968133 1.00 P2RX3 (0.83) P2RX3P2RX2CYP2C9
SCHEMBL28968134 1.00 P2RX3 (0.83) P2RX3P2RX2CYP2C9
SCHEMBL19950663 0.91 P2RX3 (1.00) P2RX3P2RX2CYP2C9
SCHEMBL29441058 0.91 P2RX3 (1.00) P2RX3P2RX2CYP2C9
SCHEMBL17824028 0.91 P2RX3 (1.00) P2RX3P2RX2CYP2C9
SCHEMBL28968121 0.89 P2RX3 (0.86) P2RX3P2RX2CYP2C9
SCHEMBL28968120 0.89 P2RX3 (0.86) P2RX3P2RX2CYP2C9
SCHEMBL30092166 0.89 P2RX3 (0.86) P2RX3P2RX2CYP2C9
SCHEMBL30277267 0.86 P2RX3 (1.00) P2RX3P2RX2CYP2C9
SCHEMBL19950292 0.86 P2RX3 (1.00) P2RX3P2RX2CYP2C9

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-110256418-B 1, 3-thiazol-2-yl substituted benzamides 拜耳公司 2023-01-20 CN disclosed