SCHEMBL9752778

SCHEMBL9752778

CCc1ccc(C(C)(C)NCCCc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SIGMAR1 Q99720 6/20 0.46
POLB P06746 2/20 0.45
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KIF11 P52732 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 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
SCHEMBL8099093 0.91 SIGMAR1 (0.52) MEN1KMT2ASIGMAR1POLBL3MBTL1
SCHEMBL8091780 0.89 SIGMAR1 (0.53) MEN1KMT2ASIGMAR1POLBTP53
SCHEMBL9378564 0.84 SIGMAR1 (0.51) MEN1KMT2ASIGMAR1POLBCYP3A4
SCHEMBL8096264 0.84 SIGMAR1 (0.51) MEN1KMT2ASIGMAR1POLBL3MBTL1
SCHEMBL8093024 0.84 SIGMAR1 (0.51) MEN1KMT2ASIGMAR1POLBL3MBTL1
SCHEMBL8092957 0.83 L3MBTL1 (0.56) MEN1KMT2ASIGMAR1POLBL3MBTL1
SCHEMBL8092622 0.82 SIGMAR1 (0.55) MEN1KMT2ASIGMAR1POLBTP53
SCHEMBL9372954 0.82 SIGMAR1 (0.53) MEN1KMT2ASIGMAR1POLBL3MBTL1
SCHEMBL9752836 0.82 DRD2 (0.45) MEN1KMT2ASIGMAR1POLB
SCHEMBL8100063 0.80 BCHE (0.58) MEN1KMT2ASIGMAR1

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