Sugi Predict

Sugi Predict / Compounds / SCHEMBL3714070

SCHEMBL3714070

SCHEMBL3714070

COc1cccc(C(=O)N[C@H]2CCC[C@@](O)(C#Cc3cccc(Cl)c3)C2)c1OC.O=C(CCC(=O)c1ccccc1)N[C@H]1CCC[C@@](O)(C#Cc2cccc(Cl)c2)C1.O=C(N[C@H]1CCC[C@@](O)(C#Cc2cccc(Cl)c2)C1)c1cccnc1Cl.O=C(N[C@H]1CCC[C@@](O)(C#Cc2cccc(Cl)c2)C1)c1cncc(Br)c1.O=C(O)c1nccc2ccccc12

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 3/20 0.31
▸ SLC6A12 P48065 1/20 0.30

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
SCHEMBL3714067 0.94 — —
SCHEMBL3724178 0.84 GRM5 (0.37) GRM5
SCHEMBL2837127 0.81 GRM5 (0.39) GRM5SLC6A12
SCHEMBL3769514 0.74 GRM5 (0.36) GRM5
SCHEMBL991625 0.73 GRM5 (0.49) GRM5SLC6A12
SCHEMBL992103 0.73 KMT2A (0.46) GRM5
SCHEMBL990983 0.72 GRM5 (0.42) GRM5
SCHEMBL990965 0.72 GRM5 (0.44) GRM5
SCHEMBL990821 0.72 GRM5 (0.44) GRM5
SCHEMBL3792920 0.70 GRM5 (0.47) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2211859-A2 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS FOR THE TREATMENT OF PARKINSON'S DISEASE Novartis AG (CH) 2010-08-04 — — EP disclosed
WO-2009047296-A2 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS FOR THE TREATMENT OP PARKINSON'S DISEASE NOVARTIS AG (CH) 2009-04-16 — — WO disclosed