SCHEMBL9752913

SCHEMBL9752913

CC(CNCCCc1ccccc1)c1ccc(I)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.56
KCNH2 Q12809 1/20 0.49
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL8091786 0.89 SIGMAR1 (0.60) SIGMAR1KCNH2KMT2AMEN1
SCHEMBL9752779 0.85 SIGMAR1 (0.51) SIGMAR1KCNH2KMT2AMEN1NPC1
SCHEMBL8099094 0.85 SIGMAR1 (0.57) SIGMAR1KCNH2KMT2AMEN1NPC1
SCHEMBL9378576 0.85 SIGMAR1 (0.56) SIGMAR1KCNH2KMT2AMEN1CYP2D6
SCHEMBL8096269 0.85 SIGMAR1 (0.56) SIGMAR1KCNH2KMT2AMEN1
SCHEMBL8092963 0.84 SIGMAR1 (0.59) SIGMAR1KCNH2KMT2AMEN1
SCHEMBL8100061 0.83 MEN1 (0.53) SIGMAR1KCNH2KMT2AMEN1
SCHEMBL9372958 0.83 KMT2A (0.67) SIGMAR1KCNH2KMT2AMEN1SMN1; SMN2
SCHEMBL8092627 0.81 SIGMAR1 (0.60) SIGMAR1KMT2AMEN1NPC1RAB9A
SCHEMBL6226287 0.79 MEN1 (0.65) SIGMAR1KCNH2KMT2AMEN1

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
WO-1991009594-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1991-07-11 WO claimed