SCHEMBL14837781

SCHEMBL14837781

C=Cc1ccc2c(ccc(=O)n2COCC[Si](C)(C)C)c1.O=c1ccc2cc(CCc3cnc(Nc4ccc(OC(F)F)c(Cl)c4)nc3)ccc2[nH]1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 6/20 0.33

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
SCHEMBL14800491 0.88 P2RX3 (0.40) P2RX3
SCHEMBL14800247 0.83 P2RX3 (0.37) P2RX3
SCHEMBL14800249 0.83 P2RX3 (0.37) P2RX3
SCHEMBL14800145 0.80 P2RX3 (0.41) P2RX3
SCHEMBL14800394 0.73 CDK4 (0.37) —
SCHEMBL14800393 0.73 CDK4 (0.37) —
SCHEMBL14800966 0.70 NPC1 (0.40) —
SCHEMBL14816286 0.68 PDE4B (0.31) P2RX3
SCHEMBL14816285 0.68 PDE4B (0.31) P2RX3
SCHEMBL14800451 0.67 KDR (0.45) 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-2760843-A2 SELECTIVE NR2B ANTAGONISTS Bristol-Myers Squibb Company (US) 2014-08-06 — — EP disclosed
WO-2013048949-A2 SELECTIVE NR2B ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 — — WO disclosed
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