SCHEMBL5200864

SCHEMBL5200864

Cc1cc(C2NCCC2c2nccs2)nc(-c2ncc[nH]2)n1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 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
SCHEMBL5201565 0.74 USP30 (0.36)
SCHEMBL4641452 0.74 SCN10A (0.35)
SCHEMBL3558771 0.73 NOS2 (0.36)
SCHEMBL5202000 0.73 MEN1 (0.33)
SCHEMBL5199693 0.73 MAPT (0.34)
SCHEMBL5204446 0.62 HCRTR1 (0.37)
SCHEMBL5199466 0.62 LMNA (0.46) ADORA2AADORA1
SCHEMBL5200371 0.61 NOS1 (0.36)
SCHEMBL5201190 0.60 MAPK14 (0.33)
SCHEMBL6236810 0.59 AOC3 (0.32)

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-1817030-A2 INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS Kalypsys, Inc. (US) 2007-08-15 EP disclosed
WO-2006060424-A2 INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS KALYPSYS, INC. (US) 2006-06-08 WO disclosed