SCHEMBL17631678

SCHEMBL17631678

N#CN(C(=O)[C@H]1CCNC1)c1nc2c(s1)CN(C(=O)c1ccccn1)CC2

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 15/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNB4 P30926 1/20 0.38
▸ CHRNA3 P32297 1/20 0.38
▸ CHRNA7 P36544 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDGFRB P09619 1/20 0.36
▸ KDR P35968 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
SCHEMBL17631972 0.88 GRM5 (0.51) GRM5
SCHEMBL17631779 0.85 GRM5 (0.44) GRM5CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL17631750 0.83 GRM5 (0.38) GRM5
SCHEMBL17631978 0.83 GRM5 (0.41) GRM5ALDH1A1SMN1; SMN2PDE4B
SCHEMBL17632318 0.82 GRM5 (0.41) GRM5
SCHEMBL17632045 0.80 ALDH1A1 (0.47) GRM5L3MBTL1CHRNB2CHRNB4CHRNA3
SCHEMBL17632042 0.80 ALDH1A1 (0.47) GRM5L3MBTL1CHRNB2CHRNB4CHRNA3
SCHEMBL17632462 0.80 FASN (0.35) GRM5
SCHEMBL17632206 0.80 GRM5 (0.36) GRM5
SCHEMBL17632538 0.79 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2

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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