SCHEMBL6992073

SCHEMBL6992073

O=c1[nH]c2ccc(C3=NOC(CN4CCC(C(O)Cc5ccc(F)cc5)CC4)C3)cc2o1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.50
GRIN2D O15399 3/20 0.43
GRIN3B O60391 3/20 0.43
GRIN1 Q05586 3/20 0.43
GRIN2A Q12879 3/20 0.43
GRIN2B Q13224 3/20 0.43
GRIN2C Q14957 3/20 0.43
GRIN3A Q8TCU5 3/20 0.43
NR3C2 P08235 4/20 0.43
KCNH2 Q12809 1/20 0.41
PPM1D O15297 1/20 0.39
DRD2 P14416 1/20 0.36
SLC6A4 P31645 1/20 0.36
MIF P14174 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
SCHEMBL6992037 0.89 ENPP2 (0.51) ENPP2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6988850 0.86 GRIN1 (0.57) ENPP2GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL6987809 0.85 GRIN1 (0.56) ENPP2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6988014 0.84 ENPP2 (0.54) ENPP2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6994357 0.83 ENPP2 (0.52) ENPP2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6995528 0.83 ENPP2 (0.53) ENPP2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6990526 0.82 ENPP2 (0.51) ENPP2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6990591 0.82 ENPP2 (0.52) ENPP2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6990557 0.82 ENPP2 (0.48) ENPP2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6992070 0.82 ENPP2 (0.51) ENPP2GRIN2DGRIN3BGRIN1GRIN2A

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
EP-1345935-A2 PIPERIDINE DERIVATIVES AS SUBTYPE SELECTIVE N-METHYL-D-ASPARTATE ANTAGONISTS Warner-Lambert Company LLC (US) 2003-09-24 EP disclosed
WO-2002050070-A2 PIPERIDINE DERIVATIVES AS SUBTYPE SELECTIVE N-METHYL-D-ASPARTATE ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2002-06-27 WO disclosed