SCHEMBL4753380

SCHEMBL4753380

COc1ccc(C)c(NCCC2CNCCN2C(=O)c2ncn([C@H]3CCCC[C@]3(OC(N)=O)C(C)C)c2-c2ccccc2)c1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
USP19 O94966 3/20 0.33
ACP1 P24666 3/20 0.31
HCRTR1 O43613 2/20 0.31
HCRTR2 O43614 2/20 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
SCHEMBL4753381 1.00 USP19 (0.33) USP19ACP1HCRTR1HCRTR2
SCHEMBL4289876 0.88 USP19 (0.37) USP19ACP1HCRTR1HCRTR2
SCHEMBL4281931 0.86 USP19 (0.36) USP19ACP1HCRTR1HCRTR2
SCHEMBL4289614 0.85 USP19 (0.34) USP19ACP1HCRTR1HCRTR2
SCHEMBL4282066 0.85 USP19 (0.35) USP19ACP1HCRTR1HCRTR2
Fumaric Acid SCHEMBL4289610 0.84 USP19 (0.34) USP19ACP1HCRTR1HCRTR2
Fumaric Acid SCHEMBL4289618 0.84 USP19 (0.34) USP19ACP1HCRTR1HCRTR2
SCHEMBL4281685 0.83 USP19 (0.38) USP19ACP1HCRTR1HCRTR2
SCHEMBL4283035 0.83 ACP1 (0.35) USP19ACP1HCRTR1HCRTR2
SCHEMBL13705403 0.82 CHRM3 (0.34) USP19ACP1HCRTR1HCRTR2

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-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO disclosed