SCHEMBL30568014

SCHEMBL30568014

CC(C)(C)OC(=O)N1CCC(c2cn(CC3COC3)c3ccc(Cl)cc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.46
CNR2 P34972 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.42
SCN9A Q15858 1/20 0.42
UTS2R Q9UKP6 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
STS P08842 2/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
MAPK8 P45983 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL23211983 1.00 CNR1 (0.46) CNR1CNR2SMN1; SMN2SCN9AUTS2R
SCHEMBL23212041 0.93 CNR1 (0.47) CNR1CNR2SMN1; SMN2SCN9AUTS2R
SCHEMBL30567980 0.93 CNR1 (0.47) CNR1CNR2SMN1; SMN2SCN9AUTS2R
SCHEMBL23211952 0.86 CNR1 (0.48) CNR1CNR2
SCHEMBL23211915 0.85 CNR1 (0.55) CNR1SMN1; SMN2SCN9AUTS2RMEN1
SCHEMBL30568016 0.85 CNR1 (0.55) CNR1SMN1; SMN2SCN9AUTS2RMEN1
SCHEMBL21382148 0.84 CNR1 (0.44) CNR1SMN1; SMN2SCN9AMEN1KMT2A
SCHEMBL30567992 0.84 CNR1 (0.44) CNR1SMN1; SMN2SCN9AMEN1KMT2A
SCHEMBL23212070 0.81 SCN9A (0.57) CNR1SMN1; SMN2SCN9AMEN1KMT2A
SCHEMBL30568012 0.81 SCN9A (0.57) CNR1SMN1; SMN2SCN9AMEN1KMT2A

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
CN-111936503-B Oxazine monoacylglycerol lipase (MAGL) inhibitors 豪夫迈·罗氏有限公司 2023-09-12 CN disclosed