SCHEMBL13618986

SCHEMBL13618986

CC(C)(C)OC(=O)N1C[C@@H](O)CC1C=O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
NR1H2 P55055 1/20 0.42
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 1/20 0.35
BTK Q06187 1/20 0.35
HSD11B1 P28845 1/20 0.34
SMN1; SMN2 Q16637 1/20 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
SCHEMBL2146983 1.00 CHRM2 (0.49) CHRM2CHRM1CHRM3CYP1A2POLB
SCHEMBL16040748 1.00 CHRM2 (0.49) CHRM2CHRM1CHRM3CYP1A2POLB
SCHEMBL8383028 1.00 CHRM2 (0.49) CHRM2CHRM1CHRM3CYP1A2POLB
SCHEMBL6347851 1.00 CHRM2 (0.49) CHRM2CHRM1CHRM3CYP1A2POLB
SCHEMBL6347848 1.00 CHRM2 (0.49) CHRM2CHRM1CHRM3CYP1A2POLB
SCHEMBL26039903 0.88 CHRM2 (0.46) CHRM2CHRM1CHRM3NR1H2HSD17B10
SCHEMBL19477755 0.87 CHRM2 (0.45) CHRM2CHRM1CHRM3CYP1A2POLB
SCHEMBL8274294 0.86 NR1H2 (0.41) CHRM2CHRM1CHRM3CYP1A2POLB
SCHEMBL20713877 0.86 CHRM2 (0.47) CHRM2CHRM1CHRM3CYP1A2POLB
SCHEMBL19865492 0.86 CHRM2 (0.47) CHRM2CHRM1CHRM3CYP1A2POLB

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-2009141091-A1 NOVEL [F-18] -LABELLED L-GLUTAMIC ACID- AND L-GLUTAMINE DERIVATIVES (I), USE THEREOF AND METHOD FOR THEIR PRODUCTION BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-11-26 WO disclosed