SCHEMBL4728653

SCHEMBL4728653

COc1ccc2cc(C(=O)/C=C/C34CC5CC(CC(C5)C3)C4)cnc2c1

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 20/20 0.54

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
SCHEMBL4731545 0.92 ALDH1A1 (0.46) HPGDS
SCHEMBL4780927 0.92 ALDH1A1 (0.46) HPGDS
SCHEMBL4729592 0.85 PDGFRB (0.42) HPGDS
SCHEMBL5511161 0.82 MGAM (0.49) HPGDS
SCHEMBL6093635 0.79 CNR2 (0.55)
SCHEMBL5505975 0.77 MEN1 (0.58)
SCHEMBL4730657 0.77 MAPT (0.35)
SCHEMBL4730336 0.77 ALDH1A1 (0.36)
SCHEMBL5504502 0.76 ABCG2 (0.50)
SCHEMBL4729401 0.76 MAOA (0.47)

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
WO-2008035049-A1 ADAMANTANYL-(CYCLOPROPYL)-KETONES AS METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2008-03-27 WO disclosed