SCHEMBL875537

SCHEMBL875537

CCN(CC)C(=O)C1CCC(I)c2c1c1c(OC)cccc1n2CCOS(C)(=O)=O

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSPO P30536 3/20 0.54

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
SCHEMBL876132 0.89 TSPO (0.43) TSPO
SCHEMBL16285915 0.84 TSPO (0.76) TSPO
SCHEMBL10090112 0.84 TSPO (0.76) TSPO
SCHEMBL417900 0.84 TSPO (0.76) TSPO
SCHEMBL875941 0.80 TSPO (0.40) TSPO
SCHEMBL875520 0.80 TSPO (0.40) TSPO
SCHEMBL17828275 0.79 TSPO (0.67) TSPO
SCHEMBL17828278 0.78 TSPO (0.49) TSPO
SCHEMBL13190442 0.78 TSPO (0.73) TSPO
SCHEMBL16285916 0.75 TSPO (0.62) TSPO

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2618850-A1 IN VIVO IMAGING METHOD OF MOOD DISORDERS GE Healthcare UK Limited (GB) 2013-07-31 EP disclosed
EP-2552891-A1 TRICYCLIC INDOLE DERIVATIVES AS PBR LIGANDS GE Healthcare Limited (GB) 2013-02-06 EP disclosed
WO-2012038532-A1 IN VIVO IMAGING METHOD OF MOOD DISORDERS GE HEALTHCARE LIMITED (GB) 2012-03-29 WO disclosed
WO-2011117421-A1 TRICYCLIC INDOLE DERIVATIVES AS PBR LIGANDS GE HEALTHCARE LIMITED (GB) 2011-09-29 WO disclosed