SCHEMBL3858849

SCHEMBL3858849

COc1cc(C(=O)[C@@H]2C(=O)c3cc(-c4cncc(Br)c4)ccc3OC23CCNCC3)cc2c1c(C)cn2C1CC1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.56
ACACA Q13085 1/20 0.56

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
SCHEMBL14128719 0.92 ACACB (0.66) ACACBACACA
SCHEMBL2571790 0.92 ACACB (0.66) ACACBACACA
SCHEMBL3864337 0.87 ACACB (0.55) ACACBACACA
SCHEMBL3861496 0.86 ACACB (0.52) ACACBACACA
SCHEMBL3858972 0.85 ACACB (0.57) ACACBACACA
SCHEMBL3857065 0.85 ACACB (0.47) ACACBACACA
SCHEMBL3861482 0.85 ACACB (0.50) ACACBACACA
SCHEMBL3864125 0.83 ACACB (0.54) ACACBACACA
SCHEMBL1444711 0.80 ACACB (0.51) ACACBACACA
SCHEMBL3793047 0.80 ACACB (0.51) 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 2 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 disclosed
WO-2008088688-A1 SUBSTITUTED SPIROCHROMANONE DERIVATIVES AS ACC INHIBITORS MERCK & CO., INC. (US) 2008-07-24 WO disclosed