SCHEMBL23339727

SCHEMBL23339727

CN(CCCCN1CCN(C2CCCCC2)CC1)c1ccccc1SC=S

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.47
SIGMAR1 Q99720 6/20 0.44
TMEM97 Q5BJF2 1/20 0.44
DRD2 P14416 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41

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
SCHEMBL23339232 0.78 ABCB1 (0.47) ABCB1SIGMAR1TMEM97GRIN1GRIN2B
SCHEMBL23339682 0.72 SIGMAR1 (0.45) ABCB1SIGMAR1TMEM97GRIN1GRIN2B
SCHEMBL23339240 0.69 SIGMAR1 (0.43) ABCB1SIGMAR1TMEM97
SCHEMBL23339263 0.69 SIGMAR1 (0.52) ABCB1SIGMAR1TMEM97
SCHEMBL23339957 0.68 ABCB1 (0.39) ABCB1SIGMAR1
SCHEMBL23339780 0.68 TP53 (0.38) SIGMAR1
SCHEMBL6656817 0.67 SIGMAR1 (0.57) ABCB1SIGMAR1TMEM97DRD2SLC6A4
SCHEMBL23339303 0.67 SIGMAR1 (0.44) ABCB1SIGMAR1TMEM97GRIN1GRIN2B
SCHEMBL26042830 0.66 SIGMAR1 (0.52) ABCB1SIGMAR1TMEM97GRIN1GRIN2B
SCHEMBL6660619 0.66 SIGMAR1 (0.56) ABCB1SIGMAR1TMEM97

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
EP-3102204-B1 HIGHLY SELECTIVE SIGMA 1 RECEPTOR LIGANDS AND RADIOLIGANDS AS PROBES IN NOCICEPTIVE PROCESSING AND THE PATHOPHYSIOLOGICAL STUDY OF MEMORY DEFICITS AND COGNITIVE DISORDERS THE UNIV OF MISSISSIPPI (US) 2021-05-05 EP disclosed