SCHEMBL14293545

SCHEMBL14293545

N#CC1=CC(OC=O)CC1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 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
SCHEMBL13677448 0.75 CYP19A1 (0.36) CYP19A1
SCHEMBL14293420 0.75
SCHEMBL21232955 0.67 OAT (0.42) CYP19A1
SCHEMBL4858488 0.64 CYP19A1 (0.37) CYP19A1
SCHEMBL4866014 0.64 CYP19A1 (0.37) CYP19A1
SCHEMBL4533868 0.63
SCHEMBL820008 0.63
SCHEMBL15416520 0.63
SCHEMBL12696698 0.63 DRD3 (0.45)
SCHEMBL29163587 0.62 DRD3 (0.41)

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
WO-2008021029-A2 PROCESS FOR MAKING LACTAM TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-02-21 WO disclosed