SCHEMBL30568005

SCHEMBL30568005

CC(C)(C)OC(=O)N1CCC(N2Cc3ccc(Cl)cc3C2)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.50
STS P08842 5/20 0.49
FNTA P49354 3/20 0.48
FNTB P49356 3/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47
NR1H2 P55055 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
NAMPT P43490 1/20 0.45
GPR119 Q8TDV5 1/20 0.44
USP2 O75604 1/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NR3C1 P04150 1/20 0.44

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
SCHEMBL21381763 1.00 ESR2 (0.50) ESR2STSFNTAFNTBMEN1
SCHEMBL654136 0.93 ESR2 (0.48) ESR2STSFNTAFNTBMEN1
SCHEMBL654135 0.93 ESR2 (0.48) ESR2STSFNTAFNTBMEN1
SCHEMBL8223384 0.83 ESR2 (0.60) ESR2STSMEN1KMT2ADDB1
SCHEMBL21381774 0.81 DPP4 (0.42) MEN1KMT2ANAMPT
SCHEMBL653757 0.79 DDB1 (0.42) ESR2STSFNTAFNTBMEN1
SCHEMBL653159 0.79 DDB1 (0.42) ESR2STSFNTAFNTBMEN1
SCHEMBL24187342 0.79 MEN1 (0.48) STSFNTAFNTBMEN1KMT2A
SCHEMBL21381843 0.79 STS (0.53) STSFNTAFNTBMEN1KMT2A
SCHEMBL4993502 0.79 ESR2 (0.48) ESR2STSFNTAFNTBMEN1

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