SCHEMBL14743283

SCHEMBL14743283

CC(C)(C)OC(=O)N1CCC[C@H]1c1nc2cc(-c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)ccc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.40
PRCP P42785 6/20 0.40
PTGES O14684 2/20 0.39
HCRTR1 O43613 9/20 0.39
HCRTR2 O43614 9/20 0.39
CHEK2 O96017 1/20 0.37

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
SCHEMBL14743281 1.00 USP30 (0.40) USP30PRCPPTGESHCRTR1HCRTR2
SCHEMBL204929 0.93 HCRTR1 (0.43) USP30HCRTR1HCRTR2CHEK2
SCHEMBL2707223 0.93 HCRTR1 (0.43) USP30HCRTR1HCRTR2CHEK2
SCHEMBL2707190 0.93 HCRTR1 (0.43) USP30HCRTR1HCRTR2CHEK2
SCHEMBL203468 0.93 HCRTR1 (0.43) USP30HCRTR1HCRTR2CHEK2
SCHEMBL15462357 0.93 HCRTR1 (0.43) USP30HCRTR1HCRTR2CHEK2
SCHEMBL204989 0.93 USP30 (0.42) USP30PRCPPTGESHCRTR1HCRTR2
SCHEMBL10201482 0.93 USP30 (0.42) USP30PRCPPTGESHCRTR1HCRTR2
SCHEMBL2193239 0.93 USP30 (0.42) USP30PRCPPTGESHCRTR1HCRTR2
SCHEMBL16499165 0.89 HCRTR1 (0.43) USP30PRCPHCRTR1HCRTR2

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
WO-2013030750-A1 ANTIVIRAL COMPOUNDS LUPIN LIMITED (IN) 2013-03-07 WO disclosed