SCHEMBL13953186

SCHEMBL13953186

NC(=O)[C@@H]1CCCN(C2CCN(C(=O)c3c4ccccc4cc4ccccc34)CC2)C1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACACB O00763 14/20 0.72
ACACA Q13085 14/20 0.72
KDM2B Q8NHM5 4/20 0.53
GAA P10253 1/20 0.49

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
SCHEMBL6182395 1.00 ACACB (0.72) ACACBACACAKDM2BGAA
SCHEMBL6183390 0.90 ACACB (0.74) ACACBACACAKDM2BGAA
SCHEMBL3465253 0.90 ACACB (0.74) ACACBACACAKDM2BGAA
SCHEMBL2622327 0.89 ACACB (0.74) ACACBACACAKDM2BGAA
SCHEMBL6184131 0.88 ACACB (0.68) ACACBACACAKDM2B
SCHEMBL6183505 0.88 ACACB (0.84) ACACBACACAKDM2BGAA
SCHEMBL976349 0.87 ACACB (0.83) ACACBACACAKDM2B
SCHEMBL2622325 0.87 ACACB (0.83) ACACBACACAKDM2B
SCHEMBL6182596 0.86 ACACB (0.70) ACACBACACAKDM2B
SCHEMBL6182816 0.86 ACACB (0.78) ACACBACACAKDM2BGAA

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
WO-2009023059-A2 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2009-02-19 WO disclosed