Sugi Predict

Sugi Predict / Compounds / SCHEMBL3713489

SCHEMBL3713489

SCHEMBL3713489

NC(=O)[C@@H]1CCC[C@](O)(C#Cc2cccc(Cl)c2)C1.O=C(N[C@@H]1CCC[C@](O)(C#Cc2cccc(Cl)c2)C1)c1ccncc1.O=C(N[C@H]1CCC[C@@](O)(C#Cc2cccc(Cl)c2)C1)c1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 18/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 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
SCHEMBL3800762 1.00 GRM5 (0.52) GRM5L3MBTL1NPC1RAB9A
SCHEMBL3716584 0.98 GRM5 (0.57) GRM5L3MBTL1NPC1RAB9A
SCHEMBL990125 0.93 GRM5 (0.57) GRM5L3MBTL1NPC1RAB9A
SCHEMBL3284072 0.93 GRM5 (0.57) GRM5L3MBTL1NPC1RAB9A
SCHEMBL3433270 0.91 GRM5 (0.55) GRM5L3MBTL1NPC1RAB9A
SCHEMBL3792920 0.88 GRM5 (0.47) GRM5L3MBTL1
SCHEMBL3799474 0.85 GRM5 (0.47) GRM5L3MBTL1NPC1RAB9A
SCHEMBL3373517 0.84 GRM5 (0.51) GRM5
SCHEMBL1899365 0.84 GRM5 (0.51) GRM5
SCHEMBL3276329 0.84 GRM5 (0.51) 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 5 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-2010000763-A2 COMBINATION PRODUCTS NOVARTIS AG (CH) 2010-01-07 — — WO disclosed
EP-2069305-A2 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Novartis AG (CH) 2009-06-17 — — EP disclosed
WO-2009047296-A2 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS FOR THE TREATMENT OP PARKINSON'S DISEASE NOVARTIS AG (CH) 2009-04-16 — — WO disclosed
WO-2008031550-A2 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTANATE RECEPTORS NOVARTIS AG (CH) 2008-03-20 — — WO disclosed