SCHEMBL29987302

SCHEMBL29987302

Cn1nc(N2Cc3cc(OCc4ccc(OCCF)cn4)ccc3C2=O)ccc1=O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.37
▸ PRMT5 O14744 2/20 0.35
▸ WDR77 Q9BQA1 2/20 0.35
▸ MCHR1 Q99705 8/20 0.34
▸ PDE10A Q9Y233 1/20 0.34
▸ GRM5 P41594 1/20 0.33
▸ NR1H4 Q96RI1 1/20 0.33
▸ AOC3 Q16853 3/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33

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
SCHEMBL24667364 1.00 HRH3 (0.37) HRH3PRMT5WDR77MCHR1PDE10A
SCHEMBL24667421 0.93 PRMT5 (0.36) HRH3PRMT5WDR77MCHR1GRM5
SCHEMBL29986698 0.93 PRMT5 (0.36) HRH3PRMT5WDR77MCHR1GRM5
SCHEMBL29986770 0.90 PRMT5 (0.34) HRH3PRMT5WDR77MCHR1PDE10A
SCHEMBL29987742 0.89 HRH3 (0.33) HRH3MCHR1PDE10AGRM5SLC6A3
SCHEMBL24667443 0.89 HRH3 (0.33) HRH3MCHR1PDE10AGRM5SLC6A3
SCHEMBL24667346 0.89 GRM5 (0.42) HRH3PRMT5WDR77MCHR1PDE10A
SCHEMBL29987375 0.89 GRM5 (0.42) HRH3PRMT5WDR77MCHR1PDE10A
SCHEMBL24667586 0.88 PRMT5 (0.45) PRMT5WDR77MCHR1GRM5
SCHEMBL29986992 0.88 PRMT5 (0.45) PRMT5WDR77MCHR1GRM5

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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