SCHEMBL3417285

SCHEMBL3417285

Cc1cccc(-c2sccc2C(=O)N2C[C@@H]3C[C@H]3[C@H]2C(N)=O)c1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 14/20 0.41
HCRTR1 O43613 13/20 0.41
MAPK8 P45983 1/20 0.34
PIK3CA P42336 1/20 0.33
TLR8 Q9NR97 1/20 0.33
GRM5 P41594 1/20 0.33
RIPK2 O43353 1/20 0.32

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
SCHEMBL3417284 1.00 HCRTR2 (0.41) HCRTR2HCRTR1MAPK8PIK3CATLR8
SCHEMBL3411958 1.00 HCRTR2 (0.41) HCRTR2HCRTR1MAPK8PIK3CATLR8
SCHEMBL3412360 1.00 HCRTR2 (0.41) HCRTR2HCRTR1MAPK8PIK3CATLR8
SCHEMBL2799729 0.87 POLB (0.38) HCRTR2HCRTR1MAPK8PIK3CA
SCHEMBL2801596 0.85 HCRTR2 (0.44) HCRTR2HCRTR1GRM5
SCHEMBL1341088 0.84 HCRTR2 (0.44) HCRTR2HCRTR1MAPK8GRM5
SCHEMBL3417288 0.84 HCRTR2 (0.44) HCRTR2HCRTR1MAPK8GRM5
SCHEMBL1340420 0.84 HCRTR2 (0.44) HCRTR2HCRTR1MAPK8GRM5
SCHEMBL3413481 0.84 HCRTR1 (0.41) HCRTR2HCRTR1PIK3CAGRM5
SCHEMBL2924872 0.83 HDAC7 (0.36) HCRTR2HCRTR1TLR8GRM5

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-2185512-B1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-12-29 EP disclosed