SCHEMBL16735774

SCHEMBL16735774

CC(=O)N[C@@H](C)CCOC1CCN(c2nc3ccc(OCC4CC4)cc3o2)CC1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 6/20 0.67
ACACB O00763 17/20 0.61

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
SCHEMBL2546952 0.92 ACACA (0.69) ACACAACACB
SCHEMBL2549820 0.89 ACACA (0.65) ACACAACACB
SCHEMBL2551192 0.89 ACACA (0.65) ACACAACACB
SCHEMBL2546187 0.89 ACACA (0.65) ACACAACACB
SCHEMBL2551015 0.89 ACACA (0.65) ACACAACACB
SCHEMBL2546441 0.87 ACACA (0.62) ACACAACACB
SCHEMBL2549208 0.86 ACACB (0.68) ACACAACACB
SCHEMBL2551517 0.85 ACACA (0.62) ACACAACACB
SCHEMBL2548680 0.85 ACACA (0.58) ACACAACACB
SCHEMBL2543343 0.85 ACACA (0.62) ACACAACACB

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-2563765-B1 BICYCLIC COMPOUND DERIVATIVES AND THEIR USE AS ACC INHIBITORS. TAKEDA PHARMACEUTICAL (JP) 2015-05-27 EP claimed