SCHEMBL29987742

SCHEMBL29987742

Cn1nc(N2Cc3cc(OCc4ccc(OCCF)cn4)cnc3C2=O)ccc1=O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 4/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ MCHR1 Q99705 8/20 0.32
▸ MAOA P21397 2/20 0.32
▸ PDE10A Q9Y233 1/20 0.32

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
SCHEMBL24667443 1.00 HRH3 (0.33) HRH3GRM5SLC6A3KCNH2MCHR1
SCHEMBL29986556 0.90 GRM5 (0.32) GRM5SLC6A3MCHR1
SCHEMBL29987302 0.89 HRH3 (0.37) HRH3GRM5SLC6A3KCNH2MCHR1
SCHEMBL24667364 0.89 HRH3 (0.37) HRH3GRM5SLC6A3KCNH2MCHR1
SCHEMBL29986550 0.89 GRM5 (0.42) GRM5SLC6A3KCNH2MCHR1PDE10A
SCHEMBL24667400 0.89 GRM5 (0.42) GRM5SLC6A3KCNH2MCHR1PDE10A
SCHEMBL24667436 0.88 MCHR1 (0.41) GRM5MCHR1
SCHEMBL29987640 0.88 MCHR1 (0.41) GRM5MCHR1
SCHEMBL24667582 0.84 MCHR1 (0.32) HRH3GRM5MCHR1
SCHEMBL24667421 0.82 PRMT5 (0.36) HRH3GRM5SLC6A3MCHR1

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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