SCHEMBL4724841

SCHEMBL4724841

[CH2]CN1C(=O)C2(CCCN(C3CCN(C(=O)c4c(N)sc5c4CCCC5=O)CC3)C2)CC1C

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACACB O00763 20/20 0.43
ACACA Q13085 18/20 0.39

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
SCHEMBL3497615 0.88 ACACB (0.40) ACACBACACA
SCHEMBL3498090 0.81 ACACB (0.52) ACACBACACA
SCHEMBL3498244 0.80 ACACB (0.66) ACACBACACA
SCHEMBL3495053 0.78 ACACB (0.53) ACACBACACA
SCHEMBL3496675 0.77 ACACB (0.41) ACACBACACA
SCHEMBL14222638 0.77 ACACB (0.40) ACACBACACA
SCHEMBL3497070 0.76 ACACB (0.51) ACACBACACA
SCHEMBL14222060 0.74 ACACB (0.40) ACACBACACA
SCHEMBL3498089 0.74 ACACB (0.44) ACACBACACA
SCHEMBL14221874 0.73 ACACB (0.65) 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-1911753-A1 SPIRO-CYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP disclosed