SCHEMBL6273380

SCHEMBL6273380

NC(=O)N1CCCC1(C(N)=O)c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
CNR2 P34972 1/20 0.38
OPRM1 P35372 2/20 0.37
OPRL1 P41146 2/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 3/20 0.36
ALDH1A1 P00352 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL5734399 0.78 HSD11B1 (0.41) HSD11B1OPRM1OPRL1OPRD1OPRK1
SCHEMBL18554982 0.74 HSD11B1 (0.35) HSD11B1GRIN1GRIN2AGRIN2BCNR2
SCHEMBL5737096 0.74 CNR1 (0.40) CNR2HPGDHSD17B10ALDH1A1CYP1A2
SCHEMBL1097860 0.74 MEN1 (0.45) HSD11B1GRIN1GRIN2AGRIN2BOPRM1
SCHEMBL5763693 0.73 HDAC4 (0.42) OPRM1OPRL1OPRD1OPRK1ALDH1A1
SCHEMBL30685514 0.72 OPRL1 (0.35) OPRL1ALDH1A1PIK3CACYP1A2CYP2D6
SCHEMBL20446611 0.71 SLC6A3 (0.40) SLC6A2SLC6A4
SCHEMBL1515554 0.71 HSD11B1 (0.48) HSD11B1GRIN1GRIN2AGRIN2BCNR2
SCHEMBL29388865 0.71 HSD11B1 (0.50) HSD11B1GRIN1GRIN2AGRIN2BCNR2
SCHEMBL3671285 0.71 HSD11B1 (0.50) HSD11B1GRIN1GRIN2AGRIN2BCNR2

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
JP-2005132746-A PYRIDYLPYRROLIDINEDICARBOXAMIDE DERIVATIVE TOKUYAMA CORP 2005-05-26 JP disclosed