SCHEMBL17632276

SCHEMBL17632276

CN1CCc2nc(N(C#N)C(=O)[C@H]3CCNC3)sc2C1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 6/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ ROCK2 O75116 12/20 0.38
▸ NPC1 O15118 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ RAB9A P51151 1/20 0.36

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) —
SCHEMBL17631750 0.87 GRM5 (0.38) —
SCHEMBL17632587 0.86 NPC1 (0.40) F10NPC1RAB9A
SCHEMBL17631404 0.86 TLR9 (0.39) NPC1RAB9A
SCHEMBL17632462 0.85 FASN (0.35) F10
SCHEMBL17632465 0.85 GRM5 (0.43) F10ROCK2NPC1RAB9A
SCHEMBL17631931 0.84 GRM5 (0.43) F10NPC1RAB9A
SCHEMBL17631972 0.81 GRM5 (0.51) —
SCHEMBL17632538 0.81 ALDH1A1 (0.51) KDM4EROCK2NPC1CYP2C19RAB9A
SCHEMBL17632125 0.80 GRM5 (0.40) NPC1RAB9A

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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