SCHEMBL13615982

SCHEMBL13615982

O=C1Cc2cc(CO)c(O)cc2C=CN1CCCI

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.33

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
SCHEMBL6846096 0.91 BRD4 (0.35) BRD4
SCHEMBL8277866 0.89 BRD4 (0.37) BRD4
SCHEMBL7950678 0.83 BRD4 (0.33) BRD4
SCHEMBL8269502 0.79 BRD4 (0.35) BRD4
SCHEMBL14845339 0.79 BRD4 (0.38) BRD4
SCHEMBL15044209 0.74 BRD4 (0.32) BRD4
SCHEMBL8269512 0.71 BRD4 (0.38) BRD4
SCHEMBL16140055 0.69 BRD4 (0.57) BRD4
SCHEMBL12332636 0.68 HCN4 (0.55) BRD4
SCHEMBL15858417 0.68 BRD4 (0.63) BRD4

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-1614687-B1 Process for the preparation of 1,3,4,5-tetrahydro-2H-3-benzazepin-2-one derivatives and their application in the synthesis of ivabradine and its pharmaceutically acceptable salts SERVIER LAB (FR) 2009-11-11 EP disclosed