SCHEMBL17631404

SCHEMBL17631404

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 2/20 0.39
▸ TLR8 Q9NR97 2/20 0.39
▸ TLR7 Q9NYK1 2/20 0.39
▸ GRM5 P41594 12/20 0.37
▸ UCHL1 P09936 2/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ PARK7 Q99497 1/20 0.36
▸ MAPK10 P53779 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ PDCD1 Q15116 1/20 0.33
▸ CD274 Q9NZQ7 1/20 0.33

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
SCHEMBL17632318 0.88 GRM5 (0.41) TLR8TLR7GRM5UCHL1MAPK14
SCHEMBL17631750 0.87 GRM5 (0.38) GRM5UCHL1MAPK14SIGMAR1PARK7
SCHEMBL17632276 0.86 F10 (0.41) NPC1RAB9A
SCHEMBL17632462 0.85 FASN (0.35) GRM5UCHL1MAPK14SIGMAR1PARK7
SCHEMBL17631972 0.81 GRM5 (0.51) GRM5PARK7
SCHEMBL17632465 0.81 GRM5 (0.43) GRM5NPC1RAB9A
SCHEMBL17632587 0.81 NPC1 (0.40) GRM5NPC1RAB9A
SCHEMBL17631678 0.79 GRM5 (0.41) GRM5ALDH1A1
SCHEMBL17631931 0.79 GRM5 (0.43) GRM5NPC1RAB9A
SCHEMBL17631978 0.79 GRM5 (0.41) GRM5ALDH1A1TSHR

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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