SCHEMBL29987375

SCHEMBL29987375

COc1ccc(COc2ccc3c(c2)CN(c2ccc(=O)n(C)n2)C3=O)nc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 2/20 0.42
▸ PDE10A Q9Y233 2/20 0.37
▸ IKZF2 Q9UKS7 1/20 0.37
▸ MCHR1 Q99705 5/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ PRMT5 O14744 1/20 0.35
▸ WDR77 Q9BQA1 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ PIK3CG P48736 2/20 0.35

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
SCHEMBL24667346 1.00 GRM5 (0.42) GRM5PDE10AIKZF2MCHR1SLC6A3
SCHEMBL24667632 0.92 GRM5 (0.42) GRM5PDE10AMCHR1SLC6A3NPC1
SCHEMBL29987068 0.92 GRM5 (0.42) GRM5PDE10AMCHR1SLC6A3NPC1
SCHEMBL29986698 0.91 PRMT5 (0.36) GRM5MCHR1SLC6A3PRMT5WDR77
SCHEMBL24667421 0.91 PRMT5 (0.36) GRM5MCHR1SLC6A3PRMT5WDR77
SCHEMBL24667653 0.90 PRMT5 (0.37) GRM5MCHR1PRMT5WDR77HRH3
SCHEMBL29986560 0.90 PRMT5 (0.37) GRM5MCHR1PRMT5WDR77HRH3
SCHEMBL24667587 0.90 PRMT5 (0.35) GRM5MCHR1PRMT5WDR77HRH3
SCHEMBL24667586 0.90 PRMT5 (0.45) GRM5MCHR1PRMT5WDR77
SCHEMBL29986992 0.90 PRMT5 (0.45) GRM5MCHR1PRMT5WDR77

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
EP-4320114-A1 ISOINDOLINONE COMPOUNDS AND IMAGING AGENTS FOR IMAGING HUNTINGTIN PROTEIN CHDI Foundation, Inc. (US) 2024-02-14 — — EP disclosed
CN-117412960-A Isoindolinone compounds and imaging agents for imaging huntingtin CHDI基金会股份有限公司 2024-01-16 — — CN disclosed
WO-2022216947-A1 ISOINDOLINONE COMPOUNDS AND IMAGING AGENTS FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. (US) 2022-10-13 — — WO disclosed
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