SCHEMBL7005960

SCHEMBL7005960

O=C(O)C(C/C=C/c1ccccc1)CCO

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 13/20 0.63
GRIK2 Q13002 13/20 0.63
HTR2A P28223 3/20 0.50
GRIK3 Q13003 2/20 0.49
PAM P19021 1/20 0.49

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
SCHEMBL1857645 0.84 GRIK1 (0.60) GRIK1GRIK2GRIK3PAM
SCHEMBL1857647 0.84 GRIK1 (0.60) GRIK1GRIK2GRIK3PAM
SCHEMBL16147768 0.83 GRIK1 (0.49) GRIK1GRIK2HTR2APAM
SCHEMBL7003638 0.83 GRIK1 (0.49) GRIK1GRIK2HTR2APAM
SCHEMBL16147766 0.83 GRIK1 (0.49) GRIK1GRIK2HTR2APAM
SCHEMBL3252010 0.81 GRIK1 (0.57) GRIK1GRIK2HTR2AGRIK3
SCHEMBL3252009 0.81 GRIK1 (0.57) GRIK1GRIK2HTR2AGRIK3
SCHEMBL21987027 0.81 GRIK1 (0.65) GRIK1GRIK2HTR2AGRIK3PAM
SCHEMBL21987028 0.81 GRIK1 (0.65) GRIK1GRIK2HTR2AGRIK3PAM
SCHEMBL1716930 0.81 GRIK1 (0.65) GRIK1GRIK2HTR2AGRIK3PAM

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-1347978-A1 NOVEL SUBSTITUTED IMIDAZOTRIAZINONES AS PDE II-INHIBITORS Bayer Aktiengesellschaft (DE) 2003-10-01 EP disclosed
WO-2002050078-A1 NOVEL SUBSTITUTED IMIDAZOTRIAZINONES AS PDE II-INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2002-06-27 WO disclosed