SCHEMBL4766046

SCHEMBL4766046

[CH2]CN1C(=O)C2(CCCN(C3CCN(C(=O)c4c(NC(=O)NCC)sc5ccccc45)CC3)C2)CC1C

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACACB O00763 20/20 0.75
ACACA Q13085 19/20 0.75

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
SCHEMBL3498771 0.92 ACACB (0.76) ACACBACACA
SCHEMBL3497416 0.90 ACACB (0.72) ACACBACACA
SCHEMBL3497640 0.86 ACACB (1.00) ACACBACACA
SCHEMBL3496708 0.85 ACACB (1.00) ACACBACACA
SCHEMBL3496310 0.84 ACACB (1.00) ACACBACACA
SCHEMBL3499009 0.84 ACACB (0.89) ACACBACACA
SCHEMBL3496603 0.83 ACACB (1.00) ACACBACACA
SCHEMBL3497956 0.83 ACACB (0.81) ACACBACACA
SCHEMBL3497132 0.83 ACACB (0.84) ACACBACACA
SCHEMBL3499248 0.83 ACACB (0.84) 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