SCHEMBL18645213

SCHEMBL18645213

CC(C)(C)OC(=O)N1CCC[C@@H](n2c(=O)[nH]c3c(N(Cc4ccccc4)Cc4ccccc4)nccc32)C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 4/20 0.47
▸ JAK2 O60674 1/20 0.43
▸ JAK1 P23458 1/20 0.43
▸ HPGDS O60760 2/20 0.42
▸ HCAR1 Q9BXC0 1/20 0.42
▸ BTK Q06187 2/20 0.41
▸ PRMT5 O14744 3/20 0.41
▸ USP30 Q70CQ3 2/20 0.40
▸ CCR5 P51681 1/20 0.39
▸ BCHE P06276 2/20 0.39
▸ PARP1 P09874 2/20 0.38
▸ PARP2 Q9UGN5 2/20 0.38
▸ ACHE P22303 1/20 0.38

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
SCHEMBL18644664 0.95 JAK2 (0.49) HTR6JAK2JAK1HPGDSHCAR1
SCHEMBL18289976 0.92 HTR6 (0.40) HTR6JAK2JAK1HPGDSHCAR1
SCHEMBL30111801 0.92 HTR6 (0.40) HTR6JAK2JAK1HPGDSHCAR1
SCHEMBL15171260 0.89 HTR6 (0.46) HTR6JAK2JAK1HPGDSHCAR1
SCHEMBL16341186 0.89 HTR6 (0.46) HTR6JAK2JAK1HPGDSHCAR1
SCHEMBL18645205 0.86 HTR6 (0.55) HTR6JAK2JAK1HPGDSPRMT5
SCHEMBL15171143 0.84 JAK2 (0.49) HTR6JAK2JAK1HPGDSBTK
SCHEMBL15711178 0.84 JAK2 (0.49) HTR6JAK2JAK1HPGDSBTK
SCHEMBL18285527 0.83 OPRM1 (0.40) BTKBCHEACHE
SCHEMBL23450731 0.82 BTK (0.46) HTR6JAK2JAK1HPGDSHCAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017041536-A1 OXO-DIHYDROIMIDAZO PYRIDINE COMPOUND AND APPLICATIONS THEREOF 东莞市真兴贝特医药技术有限公司 2017-03-16 — — WO disclosed
Send feedback