SCHEMBL7073528

SCHEMBL7073528

Cc1cccc2c1SCCC(N)O2

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 1/20 0.35
OPRD1 P41143 2/20 0.32
BCHE P06276 2/20 0.32

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
SCHEMBL7071828 0.74 NISCH (0.39)
SCHEMBL8291502 0.70 MTNR1A (0.46) MAP3K14
SCHEMBL6068846 0.68 MAP3K14 (0.35) MAP3K14
SCHEMBL6068844 0.68 MAP3K14 (0.35) MAP3K14
SCHEMBL17861392 0.66 MAP3K14 (0.38) MAP3K14
SCHEMBL9786908 0.65 MAP3K14 (0.34) MAP3K14
SCHEMBL7670514 0.61 MEN1 (0.39)
SCHEMBL4729948 0.61 MAP3K14 (0.67) MAP3K14OPRD1BCHE
Hydrochloric Acid SCHEMBL4654876 0.60 MAP3K14 (0.65) MAP3K14
SCHEMBL30437915 0.59 CA2 (0.47)

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-1370547-A1 BENZOAXATHIEPIN DERIVATIVES AND THEIR USE AS MEDICINES PIERRE FABRE MEDICAMENT (FR) 2003-12-17 EP disclosed
WO-2002081464-A1 BENZOAXATHIEPIN DERIVATIVES AND THEIR USE AS MEDICINES PIERRE FABRE MEDICAMENT (FR) 2002-10-17 WO disclosed