SCHEMBL20656198

SCHEMBL20656198

Cc1nc(OCC2CC2)c(-c2nc3c(n2Cc2ccccc2)C(=O)N(CCCOC2CCCCO2)C(O)N3C(C)C)cc1F

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 17/20 0.38

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
SCHEMBL20652776 0.87 P2RX3 (0.38) P2RX3
SCHEMBL20653052 0.82 P2RX3 (0.35) P2RX3
SCHEMBL20653068 0.80 P2RX3 (0.43) P2RX3
SCHEMBL20652818 0.79 CNR2 (0.35) P2RX3
SCHEMBL20656170 0.79 P2RX3 (0.34) P2RX3
SCHEMBL24095615 0.77 ALDH1A1 (0.39) P2RX3
SCHEMBL20652794 0.75 P2RX3 (0.45) P2RX3
SCHEMBL20655938 0.74 ACHE (0.34) P2RX3
SCHEMBL24095603 0.72 FFAR4 (0.34) P2RX3
SCHEMBL20652796 0.71 P2RX3 (0.42) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3652176-B1 SUBSTITUTED XANTHINE DERIVATIVES BOEHRINGER INGELHEIM INT (DE) 2021-12-15 — — EP disclosed
WO-2019011802-A1 NOVEL SUBSTITUTED XANTHINE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-01-17 — — WO disclosed
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