SCHEMBL342072

SCHEMBL342072

Bc1c(Cc2ccc(F)cc2)cnc(C(=O)OC(C)C)c1N(CC(=C)C)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.37
CNR2 P34972 1/20 0.34
GRM2 Q14416 1/20 0.31

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
SCHEMBL12318935 0.91 NPSR1 (0.37) NPSR1CNR2GRM2
SCHEMBL348546 0.81 NPSR1 (0.33) NPSR1CNR2
SCHEMBL12359159 0.81 NPSR1 (0.33) NPSR1CNR2
SCHEMBL12359025 0.80 NPSR1 (0.36) NPSR1CNR2GRM2
SCHEMBL12359007 0.79 NPSR1 (0.37) NPSR1GRM2
SCHEMBL342076 0.77 NPSR1 (0.41) NPSR1CNR2
SCHEMBL13536983 0.76 NPSR1 (0.34) NPSR1CNR2
SCHEMBL338481 0.74 NPSR1 (0.47) NPSR1CNR2
SCHEMBL13536981 0.74 NPSR1 (0.33) NPSR1
SCHEMBL12359094 0.74 NPSR1 (0.33) NPSR1

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