SCHEMBL4254035

SCHEMBL4254035

COc1ccc2c(c1)OC1(CCN(C(=O)c3cccc4cn[nH]c34)CC1)CC2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACACB O00763 7/20 0.75
IDO1 P14902 1/20 0.54
CYP19A1 P11511 1/20 0.52

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
SCHEMBL4262761 0.93 ACACB (0.80) ACACBIDO1
SCHEMBL4512595 0.89 ACACB (0.87) ACACB
SCHEMBL4265192 0.87 ACACB (0.76) ACACB
SCHEMBL4509550 0.86 ACACB (1.00) ACACB
SCHEMBL4520070 0.85 ACACB (0.74) ACACB
SCHEMBL4500633 0.84 ACACB (0.77) ACACB
SCHEMBL4501082 0.84 ACACB (0.64) ACACB
SCHEMBL4508072 0.83 ACACB (1.00) ACACB
SCHEMBL4254088 0.83 ACACB (0.87) ACACB
SCHEMBL4256531 0.83 ACACB (0.87) ACACB

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-2097420-A1 SPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS Pfizer Products Inc. (US) 2009-09-09 EP disclosed
WO-2008065508-A1 SPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS PFIZER PRODUCTS INC. (US) 2008-06-05 WO disclosed