SCHEMBL13636506

SCHEMBL13636506

Nc1cccc2c1C(=O)CC1(CCN(C(=O)c3c(N)sc4ccccc34)CC1)O2

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACACB O00763 13/20 0.46

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
SCHEMBL3493925 0.89 ACACB (0.44) ACACB
SCHEMBL3492059 0.87 EPHX2 (0.48) ACACB
SCHEMBL3492494 0.84 ACACB (0.49) ACACB
SCHEMBL3494495 0.84 ACACB (0.51) ACACB
SCHEMBL13636848 0.82 ACACB (0.46) ACACB
SCHEMBL3493120 0.82 ACACB (0.47) ACACB
SCHEMBL3494841 0.80 HDAC3 (0.50) ACACB
SCHEMBL3494687 0.79 TRPM8 (0.50) ACACB
SCHEMBL3492960 0.79 ACACB (0.45) ACACB
SCHEMBL3493540 0.79 HDAC3 (0.51) ACACB

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-2123652-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-11-25 EP disclosed