SCHEMBL31026567

SCHEMBL31026567

CCCCCCCCCCc1ccc2ccc3cccnc3c2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 2/20 0.57
▸ KCNH2 Q12809 1/20 0.54
▸ CCR1 P32246 4/20 0.50
▸ CCR5 P51681 3/20 0.50
▸ CCR8 P51685 3/20 0.50
▸ LMNA P02545 2/20 0.50
▸ TSHR P16473 2/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ GMNN O75496 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ HSP90AA1 P07900 1/20 0.50
▸ MMP2 P08253 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ MMP9 P14780 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ MMP8 P22894 1/20 0.50

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
SCHEMBL27915486 1.00 PDE10A (0.57) PDE10AKCNH2CCR1CCR5CCR8
SCHEMBL31026595 1.00 PDE10A (0.57) PDE10AKCNH2CCR1CCR5CCR8
SCHEMBL27971229 1.00 PDE10A (0.57) PDE10AKCNH2CCR1CCR5CCR8
SCHEMBL10480813 1.00 PDE10A (0.57) PDE10AKCNH2CCR1CCR5CCR8
SCHEMBL28813000 1.00 PDE10A (0.57) PDE10AKCNH2CCR1CCR5CCR8
SCHEMBL9528545 0.98 PDE10A (0.58) PDE10AKCNH2CCR1CCR5CCR8
Hydrochloric Acid SCHEMBL28782888 0.97 PDE10A (0.57) PDE10AKCNH2CCR1CCR5CCR8
SCHEMBL31026587 0.94 PDE10A (0.60) PDE10AKCNH2CCR1CCR5CCR8
SCHEMBL4584933 0.94 PDE10A (0.60) PDE10AKCNH2CCR1CCR5CCR8
SCHEMBL31026592 0.87 KCNH2 (0.64) KCNH2CCR1LMNAKDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118389833-A Solvent extraction system for efficiently extracting and separating lithium 中国科学院过程工程研究所 2024-07-26 — — CN claimed
CN-118389833-A Solvent extraction system for efficiently extracting and separating lithium 中国科学院过程工程研究所 2024-07-26 — — CN disclosed
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