SCHEMBL9752836

SCHEMBL9752836

CC(C)(NCCCc1ccccc1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.45
DRD4 P21917 2/20 0.45
DRD3 P35462 2/20 0.45
PLAAT3 P53816 2/20 0.45
PLAAT5 Q96KN8 2/20 0.45
PLAAT2 Q9NWW9 2/20 0.45
PLAAT4 Q9UL19 2/20 0.45
PPARG P37231 1/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP13 P45452 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SIGMAR1 Q99720 3/20 0.43
POLB P06746 1/20 0.43
FDFT1 P37268 1/20 0.43
LTA4H P09960 2/20 0.42
EPHX2 P34913 2/20 0.42
SLC2A1 P11166 1/20 0.41
CHRM4 P08173 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
SCHEMBL9372954 0.88 SIGMAR1 (0.53) PLAAT3PLAAT5PLAAT2PLAAT4MEN1
SCHEMBL8091780 0.86 SIGMAR1 (0.53) MEN1KMT2ASIGMAR1POLB
SCHEMBL8092622 0.86 SIGMAR1 (0.55) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL8100063 0.86 BCHE (0.58) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL8101722 0.82 CALM1 (0.54) PLAAT3PLAAT5PLAAT2PLAAT4MEN1
SCHEMBL9378564 0.82 SIGMAR1 (0.51) PLAAT3PLAAT5PLAAT2PLAAT4MEN1
SCHEMBL8096264 0.82 SIGMAR1 (0.51) PLAAT3PLAAT5PLAAT2PLAAT4MEN1
SCHEMBL8099093 0.82 SIGMAR1 (0.52) MEN1KMT2ASIGMAR1POLB
SCHEMBL9752778 0.82 MEN1 (0.46) MEN1KMT2ASIGMAR1POLB
SCHEMBL8093024 0.82 SIGMAR1 (0.51) MEN1KMT2ASIGMAR1POLB

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