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SCHEMBL992693

SCHEMBL992693

O=C(N[C@@H]1CCC[C@](O)(C#Cc2cccc(Cl)c2)C1)c1ccc(Cl)o1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 9/20 0.46
▸ ATM Q13315 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ HPGD P15428 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.37

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
SCHEMBL991006 1.00 GRM5 (0.46) GRM5ATML3MBTL1NPC1RAB9A
SCHEMBL990107 0.86 ALDH1A1 (0.49) GRM5ATML3MBTL1NPC1RAB9A
SCHEMBL990808 0.86 ALDH1A1 (0.49) GRM5ATML3MBTL1NPC1RAB9A
SCHEMBL990812 0.85 RAB9A (0.55) GRM5ATMNPC1RAB9AHPGD
SCHEMBL990340 0.85 L3MBTL1 (0.59) GRM5L3MBTL1NPC1RAB9A
SCHEMBL990212 0.85 GRM5 (0.44) GRM5L3MBTL1NPC1RAB9ATRPV1
SCHEMBL992077 0.85 GRM5 (0.44) GRM5L3MBTL1NPC1RAB9ATRPV1
SCHEMBL3373020 0.84 GRM5 (0.46) GRM5L3MBTL1NPC1RAB9A
SCHEMBL3374792 0.84 GRM5 (0.46) GRM5L3MBTL1NPC1RAB9A
SCHEMBL2818567 0.82 L3MBTL1 (0.47) 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 1 patent. 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