SCHEMBL17631978

SCHEMBL17631978

COc1ccccc1C(=O)N1CCc2nc(N(C#N)C(=O)[C@H]3CCNC3)sc2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 9/20 0.41
▸ PDE4B Q07343 2/20 0.41
▸ HTT P42858 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ HSD11B1 P28845 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TSHR P16473 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MGLL Q99685 1/20 0.38
▸ NTSR1 P30989 1/20 0.37
▸ CFTR P13569 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
SCHEMBL17631972 0.86 GRM5 (0.51) GRM5
SCHEMBL17631678 0.83 GRM5 (0.41) GRM5PDE4BALDH1A1SMN1; SMN2
SCHEMBL17632206 0.83 GRM5 (0.36) GRM5
SCHEMBL17632318 0.82 GRM5 (0.41) GRM5
SCHEMBL17631750 0.81 GRM5 (0.38) GRM5
SCHEMBL17631779 0.81 GRM5 (0.44) GRM5LMNAHPGD
SCHEMBL17632462 0.80 FASN (0.35) GRM5
SCHEMBL17632276 0.79 F10 (0.41) KDM4EHPGD
SCHEMBL17631404 0.79 TLR9 (0.39) GRM5TSHRALDH1A1
SCHEMBL17632538 0.77 ALDH1A1 (0.51) KMT2AKDM4EUSP2ALDH1A1MAPT

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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