SCHEMBL4722169

SCHEMBL4722169

CC1(C)CC2(CCCN(C3CCN(C(=O)c4cc(-c5ccc(C#N)cc5)sc4NC(=O)O)CC3)C2)C(=O)O1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACACB O00763 20/20 0.53
ACACA Q13085 15/20 0.53

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
SCHEMBL4723871 0.91 ACACB (0.56) ACACBACACA
SCHEMBL3497534 0.91 ACACB (0.61) ACACBACACA
SCHEMBL3496558 0.91 ACACB (0.62) ACACBACACA
SCHEMBL13312401 0.91 ACACB (0.49) ACACBACACA
SCHEMBL4724720 0.89 ACACB (0.57) ACACBACACA
SCHEMBL4723603 0.86 ACACB (0.56) ACACBACACA
SCHEMBL4723896 0.86 ACACB (0.54) ACACBACACA
SCHEMBL3496818 0.85 ACACB (0.51) ACACBACACA
SCHEMBL3497390 0.83 ACACB (0.58) ACACBACACA
SCHEMBL3498406 0.83 ACACB (0.57) 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