SCHEMBL6853768

SCHEMBL6853768

CC(C)(C)OC(=O)N1CC2CC(O)CCC2CC1CO

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.48
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
SRC P12931 8/20 0.37
PREP P48147 1/20 0.36
CYP3A4 P08684 3/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
CYP2C19 P33261 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
MAPT P10636 2/20 0.34

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
SCHEMBL6853781 1.00 NR1H2 (0.48) NR1H2CHRM2CHRM1CHRM3SRC
SCHEMBL16584744 0.86 NR1H2 (0.55) NR1H2CHRM2CHRM1CHRM3SRC
SCHEMBL30700528 0.86 NR1H2 (0.55) NR1H2CHRM2CHRM1CHRM3SRC
SCHEMBL610130 0.86 NR1H2 (0.55) NR1H2CHRM2CHRM1CHRM3SRC
SCHEMBL13336742 0.86 NR1H2 (0.55) NR1H2CHRM2CHRM1CHRM3SRC
SCHEMBL261611 0.86 NR1H2 (0.55) NR1H2CHRM2CHRM1CHRM3SRC
SCHEMBL19390033 0.86 NR1H2 (0.55) NR1H2CHRM2CHRM1CHRM3SRC
SCHEMBL29007981 0.85 NR1H2 (0.51) NR1H2CHRM2CHRM1CHRM3SRC
SCHEMBL29035448 0.85 NR1H2 (0.51) NR1H2CHRM2CHRM1CHRM3SRC
SCHEMBL11099691 0.82 NR1H2 (0.49) NR1H2CHRM2CHRM1CHRM3SRC

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6828427-B1 Oligomeric aminodiol-containing compounds, libraries thereof, and process of preparing the same ISIS PHARMACEUTICALS, INC. 2004-12-07 US disclosed
EP-0865439-A4 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS INC (US) 1998-11-11 EP disclosed
EP-0865439-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1998-09-23 EP disclosed
WO-1996040672-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed