SCHEMBL4674482

SCHEMBL4674482

Fc1ccc(F)c(C[AsH2])c1F

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.32
▸ CES1 P23141 1/20 0.32
▸ GPR84 Q9NQS5 1/20 0.30

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
SCHEMBL5254080 0.77 GPR84 (0.37) CES2CES1GPR84
SCHEMBL31103976 0.72 CES2 (0.32) CES2CES1GPR84
SCHEMBL622777 0.72 TAAR1 (0.37) CES2CES1
SCHEMBL702012 0.72 CES2 (0.37) CES2CES1GPR84
SCHEMBL322232 0.72 CES2 (0.32) CES2CES1GPR84
SCHEMBL17552649 0.72 CES2 (0.32) CES2CES1GPR84
SCHEMBL169957 0.72 F2RL1 (0.33) CES2CES1GPR84
SCHEMBL10472581 0.72 TAAR1 (0.32) CES2CES1GPR84
SCHEMBL147453 0.72 CES2 (0.32) CES2CES1GPR84
SCHEMBL13151496 0.72 CES2 (0.32) CES2CES1GPR84

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-1951689-A1 P2X7 RECEPTOR ANTAGONISTS AND METHODS OF USE ABBOTT LABORATORIES (US) 2008-08-06 — — EP disclosed
WO-2007056046-A1 P2X7 RECEPTOR ANTAGONISTS AND METHODS OF USE ABBOTT LABORATORIES (US) 2007-05-18 — — WO disclosed
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