SCHEMBL17632465

SCHEMBL17632465

CN(C)S(=O)(=O)N1CCc2nc(N(C#N)C(=O)[C@H]3CCNC3)sc2C1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 4/20 0.43
▸ FASN P49327 1/20 0.36
▸ F12 P00748 2/20 0.32
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ F10 P00742 2/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ROCK2 O75116 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
SCHEMBL17632587 0.91 NPC1 (0.40) GRM5FASNF12NPC1RAB9A
SCHEMBL17631931 0.88 GRM5 (0.43) GRM5FASNF12NPC1RAB9A
SCHEMBL17632276 0.85 F10 (0.41) NPC1RAB9AF10ROCK2
SCHEMBL17632125 0.84 GRM5 (0.40) GRM5F12NPC1RAB9AKMT2A
SCHEMBL17632318 0.83 GRM5 (0.41) GRM5FASN
SCHEMBL17631750 0.82 GRM5 (0.38) GRM5
SCHEMBL17631404 0.81 TLR9 (0.39) GRM5NPC1RAB9A
SCHEMBL17632462 0.81 FASN (0.35) GRM5FASNF10
SCHEMBL17631972 0.77 GRM5 (0.51) GRM5
SCHEMBL17632538 0.76 ALDH1A1 (0.51) NPC1RAB9AKMT2AROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3197883-A1 NOVEL COMPOUNDS Mission Therapeutics Limited (GB) 2017-08-02 — — EP claimed
WO-2016046530-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2016-03-31 — — WO claimed
EP-3197883-A1 NOVEL COMPOUNDS Mission Therapeutics Limited (GB) 2017-08-02 — — EP disclosed
WO-2016046530-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2016-03-31 — — WO disclosed
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