SCHEMBL2714770

SCHEMBL2714770

CC1(C)CC(=O)c2cc(C#Cc3ncccc3C#N)cnc2C1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.66
POLB P06746 1/20 0.46
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL2713551 0.85 GRM5 (0.60) GRM5POLBALDH1A1HTT
SCHEMBL2713356 0.84 GRM5 (0.69) GRM5POLBALDH1A1HTT
SCHEMBL2714445 0.82 GRM5 (0.76) GRM5POLBALDH1A1HTT
SCHEMBL2716611 0.81 GRM5 (0.77) GRM5ALDH1A1HTT
SCHEMBL2717432 0.80 GRM5 (0.65) GRM5POLBALDH1A1HTT
SCHEMBL2716824 0.80 GRM5 (1.00) GRM5ALDH1A1HTT
SCHEMBL2717904 0.80 GRM5 (0.76) GRM5POLBALDH1A1HTT
SCHEMBL2713404 0.79 GRM5 (0.67) GRM5POLBALDH1A1HTTKDM4E
SCHEMBL2715105 0.79 GRM5 (0.79) GRM5POLBALDH1A1HTTKDM4E
SCHEMBL2714812 0.79 GRM5 (0.74) GRM5ALDH1A1HTT

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
WO-2012052451-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2012-04-26 WO claimed
WO-2012052451-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2012-04-26 WO disclosed