SCHEMBL29460874

SCHEMBL29460874

N#CC1(c2ccccn2)CCC2(CC1)OCCO2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.38
PRKCA P17252 1/20 0.37
PTPN2 P17706 1/20 0.37
HTR7 P34969 1/20 0.37
ADRA1A P35348 1/20 0.37
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
SLC6A2 P23975 1/20 0.33
SPR P35270 1/20 0.32
CCR1 P32246 1/20 0.32
CHRM1 P11229 1/20 0.32
OPRM1 P35372 7/20 0.32
OPRD1 P41143 2/20 0.32
OPRK1 P41145 2/20 0.32
KCNH2 Q12809 1/20 0.32
SCN5A Q14524 1/20 0.32
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
OPRL1 P41146 1/20 0.31

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
SCHEMBL11920690 1.00 HSD11B1 (0.38) HSD11B1PRKCAPTPN2HTR7ADRA1A
SCHEMBL7157630 0.87 HSD11B1 (0.43) HSD11B1PRKCAPTPN2HTR7ADRA1A
SCHEMBL30419444 0.87 HSD11B1 (0.43) HSD11B1PRKCAPTPN2HTR7ADRA1A
SCHEMBL21246371 0.83 MAP3K12 (0.41) HSD11B1PRKCAPTPN2HTR7ADRA1A
SCHEMBL22540300 0.81 MAP3K12 (0.40) HSD11B1PRKCAPTPN2HTR7ADRA1A
SCHEMBL4075017 0.81 ALDH1A1 (0.31)
SCHEMBL31221400 0.80 GRIN1 (0.44) HSD11B1PRKCAPTPN2HTR7ADRA1A
SCHEMBL626328 0.80 GRIN1 (0.44) HSD11B1PRKCAPTPN2HTR7ADRA1A
SCHEMBL15862755 0.80 GRIN1 (0.47) HSD11B1PRKCAPTPN2HTR7ADRA1A
SCHEMBL20887344 0.80 HSD11B1 (0.38) HSD11B1PRKCAPTPN2HTR7ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023081666-A1 COMPOUNDS AS CCR2 MODULATORS ARIA PHARMACEUTICALS, INC. (US) 2023-05-11 WO disclosed
CN-108602777-B 3- ((hetero-) aryl) -alkyl-8-amino-2-oxo-1, 3-aza-spiro- [4.5] -decane derivative 格吕伦塔尔有限公司 2022-05-03 CN disclosed
CN-114149413-A 3- ((hetero) aryl) -8-amino-2-oxo-1, 3-aza-spiro- [4.5] -decane derivatives 格吕伦塔尔有限公司 2022-03-08 CN disclosed