SCHEMBL484225

SCHEMBL484225

CC(C)(C)[C@]1(c2ccccc2O)CC[C@@]2(CCNC2=O)N1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.34
NPC1 O15118 1/20 0.34
SLC6A9 P48067 4/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GRIN1 Q05586 2/20 0.32
GRIN2A Q12879 2/20 0.32
CCR5 P51681 1/20 0.32
GRIN2B Q13224 1/20 0.32
OPRM1 P35372 2/20 0.31
OPRL1 P41146 2/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
SLC6A5 Q9Y345 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
SCHEMBL484224 1.00 HSD17B10 (0.34) HSD17B10NPC1SLC6A9LMNAMAPT
SCHEMBL483474 0.81 GRIN1 (0.34) GRIN1GRIN2AGRIN2BOPRM1OPRD1
SCHEMBL483691 0.76 GRIN1 (0.35) GRIN1GRIN2AGRIN2B
SCHEMBL2452095 0.68 SIGMAR1 (0.33) HSD17B10NPC1MEN1KMT2AOPRM1
SCHEMBL484166 0.68 MAOB (0.40) NPC1
SCHEMBL23611552 0.62 GAA (0.33) LMNAOPRM1OPRL1OPRD1OPRK1
SCHEMBL2834429 0.59 ESR2 (0.35) HSD17B10LMNAMAPTOPRM1OPRL1
SCHEMBL2837258 0.59 KIF11 (0.37) HSD17B10OPRM1OPRD1OPRK1
SCHEMBL1762490 0.58 CRBN (0.43) HSD17B10SLC6A9NPSR1GRIN1GRIN2A
SCHEMBL25311909 0.57 OPRL1 (0.42) HSD17B10SLC6A9LMNAKMT2AOPRM1

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
EP-1934176-B1 QUATERNARY ALPHA-AMINOCARBOXAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS GLAXO GROUP LTD (GB) 2012-02-01 EP disclosed