SCHEMBL875142

SCHEMBL875142

CN(Cc1ccccc1)C(=O)C1CCC(I)c2c1c1ccccc1n2CCOS(C)(=O)=O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
TSPO P30536 2/20 0.41
PER2 O15055 1/20 0.39
CRY1 Q16526 1/20 0.39
CRY2 Q49AN0 1/20 0.39
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL416453 0.84 TSPO (0.55) TSPO
SCHEMBL875941 0.75 TSPO (0.40) TSPOPER2CRY1CRY2
SCHEMBL875520 0.75 TSPO (0.40) TSPOPER2CRY1CRY2
SCHEMBL876132 0.73 TSPO (0.43) TSPO
SCHEMBL875781 0.73 TSPO (0.45) TSPO
SCHEMBL875537 0.72 TSPO (0.54) TSPO
SCHEMBL416794 0.72 TSPO (0.56) TSPO
SCHEMBL414227 0.71 TSPO (0.61) TSPO
SCHEMBL15101782 0.71 TSPO (0.70) TSPO
SCHEMBL415392 0.71 TSPO (0.70) 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