SCHEMBL29035539

SCHEMBL29035539

CCCCCc1ccc2ccc3cccnc3c2n1.Cc1cccc(C)c1N.[Fe]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
PDE10A Q9Y233 2/20 0.50
KCNH2 Q12809 1/20 0.43
MCHR1 Q99705 3/20 0.40
CCR1 P32246 3/20 0.40
CCR5 P51681 3/20 0.40
CCR8 P51685 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PDPK1 O15530 2/20 0.39
TSHR P16473 2/20 0.39
GMNN O75496 1/20 0.39
TP53 P04637 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MMP2 P08253 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MMP9 P14780 1/20 0.39

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
SCHEMBL9528545 0.87 PDE10A (0.58) LMNAPDE10AKCNH2MCHR1CCR1
Hydrochloric Acid SCHEMBL28782888 0.86 PDE10A (0.57) LMNAPDE10AKCNH2MCHR1CCR1
SCHEMBL28813000 0.86 PDE10A (0.57) LMNAPDE10AKCNH2MCHR1CCR1
SCHEMBL27971229 0.86 PDE10A (0.57) LMNAPDE10AKCNH2MCHR1CCR1
SCHEMBL31026567 0.86 PDE10A (0.57) LMNAPDE10AKCNH2MCHR1CCR1
SCHEMBL31026595 0.86 PDE10A (0.57) LMNAPDE10AKCNH2MCHR1CCR1
SCHEMBL10480813 0.86 PDE10A (0.57) LMNAPDE10AKCNH2MCHR1CCR1
SCHEMBL27915486 0.86 PDE10A (0.57) LMNAPDE10AKCNH2MCHR1CCR1
SCHEMBL4584933 0.83 PDE10A (0.60) LMNAPDE10AKCNH2CCR1CCR5
SCHEMBL31026587 0.83 PDE10A (0.60) LMNAPDE10AKCNH2CCR1CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116037205-A Catalyst system for ethylene oligomerization and preparation method and application thereof 中国石油化工股份有限公司 2023-05-02 CN claimed
CN-116037205-A Catalyst system for ethylene oligomerization and preparation method and application thereof 中国石油化工股份有限公司 2023-05-02 CN disclosed
CN-116037205-A Catalyst system for ethylene oligomerization and preparation method and application thereof 中国石油化工股份有限公司 2023-05-02 CN disclosed