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Sugi Predict / Compounds / SCHEMBL990345

SCHEMBL990345

SCHEMBL990345

O=C(N[C@H]1CCC[C@@](O)(C#Cc2cccc(Cl)c2)C1)c1cc(=O)[nH]c(=O)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 11/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ PLA2G7 Q13093 4/20 0.38
▸ NUDT1 P36639 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL990757 0.86 GRM5 (0.46) GRM5L3MBTL1NPC1RAB9ANUDT1
SCHEMBL990736 0.86 GRM5 (0.46) GRM5L3MBTL1NPC1RAB9ANUDT1
SCHEMBL992293 0.83 SMYD3 (0.46) GRM5
SCHEMBL990340 0.83 L3MBTL1 (0.59) GRM5L3MBTL1NPC1RAB9AMEN1
SCHEMBL992650 0.82 NPC1 (0.45) GRM5L3MBTL1NPC1RAB9AMEN1
SCHEMBL990862 0.82 NPC1 (0.45) GRM5L3MBTL1NPC1RAB9AMEN1
SCHEMBL2818567 0.80 L3MBTL1 (0.47) GRM5L3MBTL1NPC1RAB9AMEN1
SCHEMBL990869 0.79 GRM5 (0.48) GRM5L3MBTL1NPC1RAB9AMEN1
SCHEMBL990822 0.79 NPC1 (0.48) GRM5L3MBTL1NPC1RAB9A
SCHEMBL2815651 0.79 GRM5 (0.46) GRM5L3MBTL1NPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2272509-A1 New Uses of metabotropic glutamate receptors Novartis AG (CH) 2011-01-12 — — EP disclosed
EP-1877365-A1 ACETYLENE DERIVATIVES Novartis AG (CH) 2008-01-16 — — EP disclosed
WO-2006114262-A1 ACETYLENE DERIVATIVES NOVARTIS AG (CH) 2006-11-02 — — WO disclosed