SCHEMBL9380377

SCHEMBL9380377

CC(CN(C)CCCCCc1ccccc1)c1ccccc1.CCOc1ccc(C(C)CNCCCc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.47
BCHE P06276 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
S1PR1 P21453 2/20 0.39
S1PR3 Q99500 1/20 0.39
S1PR5 Q9H228 1/20 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
SCHEMBL8092627 0.86 SIGMAR1 (0.60) SIGMAR1BCHEKMT2AMEN1LMNA
SCHEMBL8091657 0.79 SIGMAR1 (0.65) SIGMAR1
SCHEMBL8100041 0.78 SIGMAR1 (0.62) SIGMAR1
SCHEMBL8091786 0.75 SIGMAR1 (0.60) SIGMAR1KMT2AMEN1
SCHEMBL8091986 0.75 SIGMAR1 (0.57) SIGMAR1
SCHEMBL8100061 0.75 MEN1 (0.53) SIGMAR1BCHEKMT2AMEN1DRD2
SCHEMBL9372958 0.75 KMT2A (0.67) SIGMAR1BCHEKMT2AMEN1LMNA
SCHEMBL8084153 0.74 SIGMAR1 (0.59) SIGMAR1DRD3
SCHEMBL8092963 0.74 SIGMAR1 (0.59) SIGMAR1KMT2AMEN1
SCHEMBL8099094 0.72 SIGMAR1 (0.57) SIGMAR1BCHEKMT2AMEN1

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-0591426-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1994-04-13 EP claimed
WO-1993000313-A2 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1993-01-07 WO claimed