SCHEMBL13636699

SCHEMBL13636699

CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC2(CC1)CC(=O)N(C)C(=O)O2

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACACB O00763 20/20 0.56
ACACA Q13085 19/20 0.56

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
SCHEMBL3492849 0.91 ACACB (0.62) ACACBACACA
SCHEMBL3492190 0.89 ACACB (0.55) ACACBACACA
SCHEMBL3492160 0.89 ACACB (0.56) ACACBACACA
SCHEMBL3492918 0.86 ACACB (0.58) ACACBACACA
SCHEMBL3493243 0.85 ACACB (0.55) ACACBACACA
SCHEMBL3493239 0.85 ACACB (0.55) ACACBACACA
SCHEMBL3493702 0.84 ACACB (0.51) ACACBACACA
SCHEMBL13340195 0.83 ACACB (0.52) ACACBACACA
SCHEMBL13636698 0.83 ACACB (0.54) ACACBACACA
SCHEMBL3494314 0.82 ACACB (0.53) ACACBACACA

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