SCHEMBL348546

SCHEMBL348546

Bc1c(Cc2ccc(F)cc2)cnc(C(=O)OC(C)C)c1N(CC[C@H]1COC(C)(C)O1)C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.33
USP30 Q70CQ3 1/20 0.31
CNR2 P34972 1/20 0.30
FPR2 P25090 1/20 0.30
SCN9A Q15858 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
SCHEMBL12359315 0.92 NPSR1 (0.33) NPSR1USP30CNR2
SCHEMBL13536981 0.85 NPSR1 (0.33) NPSR1USP30FPR2SCN9A
SCHEMBL12306142 0.85 NPSR1 (0.33) NPSR1USP30FPR2SCN9A
SCHEMBL12359094 0.85 NPSR1 (0.33) NPSR1USP30FPR2SCN9A
SCHEMBL12373151 0.84 NPSR1 (0.39) NPSR1FPR2SCN9A
SCHEMBL342072 0.81 NPSR1 (0.37) NPSR1CNR2
SCHEMBL12373150 0.80 NPSR1 (0.33) NPSR1FPR2SCN9A
SCHEMBL12373146 0.78 NPSR1 (0.39) NPSR1FPR2SCN9A
SCHEMBL12359096 0.73 NPSR1 (0.33) NPSR1FPR2SCN9A
SCHEMBL12333624 0.73 NPSR1 (0.33) NPSR1FPR2SCN9A

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-2321319-B1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES INC (US) 2012-03-14 EP disclosed