SCHEMBL5201565

SCHEMBL5201565

Cc1cc(C2C(c3nccs3)CCN2C(=O)OC(C)(C)C)nc(-c2ncc[nH]2)n1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.36
UCHL1 P09936 1/20 0.36
GPR119 Q8TDV5 2/20 0.34
GRM5 P41594 3/20 0.33
ACACB O00763 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CHEK2 O96017 1/20 0.30
SIRT2 Q8IXJ6 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
SCHEMBL5201529 0.85 NR1H2 (0.43) USP30UCHL1GPR119GRM5
SCHEMBL5203615 0.83 UCHL1 (0.38) USP30UCHL1GPR119GRM5CHEK2
SCHEMBL5202192 0.81 UCHL1 (0.37) USP30UCHL1GPR119GRM5CHEK2
SCHEMBL3568596 0.78 NOS2 (0.39) GPR119GRM5
SCHEMBL5200864 0.74 ADORA2A (0.33)
SCHEMBL5204446 0.69 HCRTR1 (0.37) USP30UCHL1GRM5
SCHEMBL30563583 0.68 GPR119 (0.41) USP30UCHL1GPR119L3MBTL1
SCHEMBL5200295 0.67 HRH3 (0.39) USP30UCHL1ACACB
SCHEMBL30563646 0.66 PKM (0.46) GPR119L3MBTL1
SCHEMBL20807473 0.65 ALDH1A1 (0.44) GPR119L3MBTL1

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