SCHEMBL1829693

SCHEMBL1829693

COc1ccc2nc(C(=O)N3CCC4(CC3)CC(=O)c3cc(-c5n[nH]c(C(N)=O)n5)ccc3O4)cc(OC)c2c1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACACB O00763 12/20 0.47
ACACA Q13085 3/20 0.42

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
SCHEMBL1831409 0.91 ACACB (0.45) ACACBACACA
SCHEMBL1829815 0.89 ACACB (0.45) ACACBACACA
SCHEMBL1812979 0.87 ACACB (0.49) ACACBACACA
SCHEMBL1827670 0.86 ACACB (0.46) ACACBACACA
SCHEMBL1829753 0.86 ACACB (0.46) ACACBACACA
SCHEMBL1830111 0.85 ACACB (0.54) ACACBACACA
SCHEMBL1829678 0.85 ACACB (0.43) ACACBACACA
SCHEMBL1832749 0.85 ACACB (0.45) ACACBACACA
SCHEMBL1828716 0.84 HDAC3 (0.49) ACACBACACA
SCHEMBL1830481 0.84 ACACB (0.43) 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-1910375-B1 SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS MERCK SHARP & DOHME (US) 2011-05-11 EP claimed