Sugi Predict

Sugi Predict / Compounds / SCHEMBL4507971

SCHEMBL4507971

SCHEMBL4507971

Cc1cccc(C#C[C@@]2(O)CCC[C@@H](N)C2)c1.Cc1cccc(C#C[C@]2(O)CCC[C@H](NC(=O)c3ccco3)C2)c1.O=C(O)c1ccco1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 17/20 0.44
▸ KMT2A Q03164 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41

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
SCHEMBL3626221 0.92 GRM5 (0.48) GRM5
SCHEMBL991105 0.92 ALDH1A1 (0.48) GRM5KMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL990050 0.92 ALDH1A1 (0.48) GRM5KMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL4565316 0.86 GRM5 (0.42) GRM5
SCHEMBL3664219 0.83 GRM5 (0.41) GRM5
SCHEMBL990107 0.82 ALDH1A1 (0.49) GRM5KMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL990808 0.82 ALDH1A1 (0.49) GRM5KMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL990810 0.81 ALDH1A1 (0.48) GRM5KMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL990781 0.81 ALDH1A1 (0.48) GRM5KMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL2813710 0.79 GRM5 (0.54) 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-2069305-A2 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Novartis AG (CH) 2009-06-17 — — EP disclosed
WO-2008031550-A2 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTANATE RECEPTORS NOVARTIS AG (CH) 2008-03-20 — — WO disclosed