SCHEMBL483474

SCHEMBL483474

CC(C)(C)[C@@]1(c2cccc(O)c2)CC[C@]2(CCNC2=O)N1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.34
GRIN2A Q12879 2/20 0.34
GRIN2B Q13224 1/20 0.34
OPRD1 P41143 4/20 0.34
SIGMAR1 Q99720 6/20 0.33
OPRM1 P35372 6/20 0.32
OPRK1 P41145 2/20 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 0.81 HSD17B10 (0.34) GRIN1GRIN2AGRIN2BOPRD1OPRM1
SCHEMBL484225 0.81 HSD17B10 (0.34) GRIN1GRIN2AGRIN2BOPRD1OPRM1
SCHEMBL483691 0.80 GRIN1 (0.35) GRIN1GRIN2AGRIN2B
SCHEMBL483539 0.75 HPD (0.40)
SCHEMBL5527373 0.69 OPRD1 (0.46) OPRD1OPRM1OPRK1
SCHEMBL484166 0.69 MAOB (0.40)
SCHEMBL2837258 0.68 KIF11 (0.37) OPRD1OPRM1OPRK1
SCHEMBL483473 0.65 NR1H2 (0.38) OPRK1
SCHEMBL7679805 0.60 FNTA (0.44) OPRD1OPRM1OPRK1
SCHEMBL7680809 0.60 FNTA (0.44) OPRD1OPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153623-B2 Compounds Convergence Pharmaceuticals Limited (GB) 2012-04-10 US disclosed
EP-1934176-B1 QUATERNARY ALPHA-AMINOCARBOXAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS GLAXO GROUP LTD (GB) 2012-02-01 EP disclosed