SCHEMBL3856569

SCHEMBL3856569

COc1cc(C(=O)[C@@H]2C(=O)c3cc(-c4nnn[nH]4)ccc3OC23CCNCC3)cc2c1ccn2C1CC1.[NaH]

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34

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
SCHEMBL1535057 0.99 ACACB (0.34) ACACBACACA
SCHEMBL2360849 0.99 ACACB (0.34) ACACBACACA
SCHEMBL3856567 0.93
SCHEMBL4783523 0.91
SCHEMBL4883777 0.90
SCHEMBL3856615 0.89
SCHEMBL3858724 0.88 ACACB (0.34) ACACBACACA
SCHEMBL3857065 0.87 ACACB (0.47) ACACBACACA
SCHEMBL3856183 0.87 ACACB (0.34) ACACBACACA
SCHEMBL3859694 0.84 ACACB (0.40) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2111406-A1 SUBSTITUTED SPIROCHROMANONE DERIVATIVES AS ACC INHIBITORS Merck & Co., Inc. (US) 2009-10-28 EP claimed
WO-2008088688-A1 SUBSTITUTED SPIROCHROMANONE DERIVATIVES AS ACC INHIBITORS MERCK & CO., INC. (US) 2008-07-24 WO claimed
WO-2008088689-A1 SUBSTITUTED SPIROCHROMANONE DERIVATIVES AS ACC INHIBITORS MERCK & CO., INC. (US) 2008-07-24 WO disclosed