SCHEMBL6849949

SCHEMBL6849949

CC(=O)OC1CCC2C(OC(C)=O)CCC1N2C

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 7/20 0.58
CHRM1 P11229 5/20 0.58
CHRM4 P08173 4/20 0.58
CHRM3 P20309 4/20 0.58
CYP2D6 P10635 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SLC18A3 Q16572 1/20 0.40
CYP1A2 P05177 1/20 0.38
HIF1A Q16665 1/20 0.38
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL11844378 0.78 CA2 (0.45) CHRM2CHRM1CHRM4CHRM3SLC18A3
SCHEMBL11839957 0.76 CHRM2 (0.41) CHRM2CHRM1CHRM4CHRM3CYP2D6
SCHEMBL11840038 0.75 CHRM2 (0.46) CHRM2CHRM1CHRM4CHRM3SLC18A3
SCHEMBL25005887 0.72 CHRM2 (0.64) CHRM2CHRM1CHRM4CHRM3
SCHEMBL22006156 0.72 CHRM2 (0.47) CHRM2CHRM1CHRM4CHRM3CYP2D6
SCHEMBL28522654 0.72 CHRM2 (0.47) CHRM2CHRM1CHRM4CHRM3CYP2D6
SCHEMBL13079825 0.72 CHRM2 (0.47) CHRM2CHRM1CHRM4CHRM3CYP2D6
SCHEMBL17807032 0.72 CHRM2 (0.47) CHRM2CHRM1CHRM4CHRM3CYP2D6
SCHEMBL11836124 0.70 NAAA (0.55) CHRM2CHRM1CHRM4CHRM3
SCHEMBL6429689 0.70 CHRM2 (0.45) CHRM2CHRM1CHRM4CHRM3CYP2D6

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