SCHEMBL25996795

SCHEMBL25996795

CCN1c2nc(-c3ncc(Cl)nc3C)n(Cc3ccc(F)cc3)c2C(=O)N(CCCOC2CCCCO2)C1O

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 19/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL22111443 0.82 P2RX3 (0.39) P2RX3
SCHEMBL22109780 0.79 P2RX3 (0.44) P2RX3
SCHEMBL20656224 0.77 P2RX3 (0.46) P2RX3
SCHEMBL22109911 0.73 P2RX3 (0.48) P2RX3
SCHEMBL22109783 0.73 P2RX3 (0.44) P2RX3
SCHEMBL20432337 0.72 P2RX3 (0.46) P2RX3
SCHEMBL19375462 0.72 P2RX3 (0.46) P2RX3
SCHEMBL22105422 0.71 P2RX3 (0.37) P2RX3
SCHEMBL21499666 0.70 P2RX3 (0.43) P2RX3
SCHEMBL19375035 0.70 P2RX3 (0.44) P2RX3

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-3894409-B1 SUBSTITUTED XANTHINE DERIVATIVES BOEHRINGER INGELHEIM INT (DE) 2023-08-23 — — EP disclosed
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