SCHEMBL9248685

SCHEMBL9248685

CC1(C)CCC(OCc2cccc3ccccc23)C(Cn2cncn2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
REN P00797 2/20 0.36
OPRM1 P35372 2/20 0.34
OPRD1 P41143 2/20 0.34
OPRK1 P41145 2/20 0.34
HSD17B10 Q99714 1/20 0.34
GLA P06280 1/20 0.33
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
ACHE P22303 1/20 0.32
LRRK2 Q5S007 1/20 0.31
KCNA5 P22460 2/20 0.31
SCN5A Q14524 2/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
SLC18A2 Q05940 1/20 0.31
CYP19A1 P11511 1/20 0.31

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
SCHEMBL9248690 1.00 GAA (0.39) GAARENOPRM1OPRD1OPRK1
SCHEMBL9244542 0.83 POLB (0.47) OPRM1OPRD1OPRK1POLBKDM4E
SCHEMBL9244520 0.83 POLB (0.47) OPRM1OPRD1OPRK1POLBKDM4E
SCHEMBL9249928 0.82 REN (0.37) GAARENHSD17B10
SCHEMBL9249921 0.82 REN (0.37) GAARENHSD17B10
SCHEMBL9244509 0.80 GAA (0.38) GAARENOPRM1OPRD1OPRK1
SCHEMBL9244519 0.80 GAA (0.38) GAARENOPRM1OPRD1OPRK1
SCHEMBL8715182 0.79 EPHX1 (0.38) OPRM1OPRD1OPRK1ACHEKCNA5
SCHEMBL9250038 0.79 EPHX1 (0.38) OPRM1OPRD1OPRK1ACHEKCNA5
SCHEMBL9244485 0.77 REN (0.47) GAARENHSD17B10POLBALDH1A1

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
US-5449785-A Fungicides with triazole groups HOFFMANN-LA ROCHE INC. (US) 1995-09-12 US disclosed