SCHEMBL875520

SCHEMBL875520

CCN(CC)C(=O)C1CCC(I)c2c1c1ccc(F)cc1n2CCOS(C)(=O)=O

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSPO P30536 3/20 0.40
PER2 O15055 4/20 0.39
CRY1 Q16526 4/20 0.39
CRY2 Q49AN0 4/20 0.39

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
SCHEMBL875941 0.93 TSPO (0.40) TSPOPER2CRY1CRY2
SCHEMBL417801 0.83 TSPO (0.60) TSPO
SCHEMBL876132 0.83 TSPO (0.43) TSPO
SCHEMBL875537 0.80 TSPO (0.54) TSPO
SCHEMBL413796 0.77 TSPO (0.60) TSPO
SCHEMBL875142 0.75 POLB (0.42) TSPOPER2CRY1CRY2
SCHEMBL875781 0.74 TSPO (0.45) TSPO
SCHEMBL15905900 0.71 TSPO (0.74) TSPO
SCHEMBL417793 0.69 TSPO (0.69) TSPO
SCHEMBL417031 0.69 TSPO (0.79) 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 2 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
WO-2012038532-A1 IN VIVO IMAGING METHOD OF MOOD DISORDERS GE HEALTHCARE LIMITED (GB) 2012-03-29 WO disclosed