SCHEMBL4381235

SCHEMBL4381235

CCNC(=O)Nc1sc2nc(C(F)(F)F)ccc2c1C(=O)N1CCC2(CC1)CC(=O)c1cc(C)ccc1S2

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACACB O00763 20/20 0.44
ACACA Q13085 20/20 0.44

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
SCHEMBL4381232 1.00 ACACB (0.44) ACACBACACA
SCHEMBL3494182 0.91 ACACB (0.35) ACACBACACA
SCHEMBL3494179 0.91 ACACB (0.35) ACACBACACA
SCHEMBL3491727 0.90 ACACB (0.34) ACACBACACA
SCHEMBL3491725 0.90 ACACB (0.34) ACACBACACA
SCHEMBL13340560 0.87 ACACB (0.33) ACACBACACA
SCHEMBL3492828 0.86 ACACB (0.52) ACACBACACA
SCHEMBL3492830 0.86 ACACB (0.52) ACACBACACA
SCHEMBL3495144 0.85 ACACB (0.46) ACACBACACA
SCHEMBL3495471 0.85 ACACB (0.51) 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