SCHEMBL5698235

SCHEMBL5698235

COc1ccc(OCC#Cc2cccc(C)n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 16/20 1.00
PDE10A Q9Y233 1/20 0.48

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
SCHEMBL5698271 0.90 GRM5 (1.00) GRM5
SCHEMBL5698277 0.89 GRM5 (1.00) GRM5
SCHEMBL8286828 0.88 GRM5 (0.81) GRM5
SCHEMBL8287032 0.87 GRM5 (1.00) GRM5
SCHEMBL5698562 0.85 GRM5 (0.74) GRM5
SCHEMBL5698311 0.85 GRM5 (0.75) GRM5
SCHEMBL8288264 0.85 GRM5 (1.00) GRM5
SCHEMBL8286836 0.83 GRM5 (0.73) GRM5
SCHEMBL5698508 0.83 GRM5 (0.72) GRM5
SCHEMBL8286829 0.82 GRM5 (0.76) GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1677788-A1 ALKYNES III AstraZeneca AB (SE) 2006-07-12 EP disclosed
WO-2005044265-A1 ALKYNES III ASTRAZENECA AB (SE) 2005-05-19 WO disclosed
WO-2005044265-A1 ALKYNES III ASTRAZENECA AB (SE) 2005-05-19 WO disclosed