SCHEMBL30557586

SCHEMBL30557586

CC(C)N1CC2(CN(c3ccc(-c4ccc5nc(-c6ccc(S(C)(=O)=O)cc6)n(C)c5n4)cc3)C2)C1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 17/20 0.40
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ GRM2 Q14416 1/20 0.37
▸ PTGS1 P23219 3/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL25362939 1.00 PTGS2 (0.40) PTGS2MAOAMAOBGRM2PTGS1
SCHEMBL25368100 0.93 HRH3 (0.37) PTGS2MAOAMAOBGRM2PTGS1
SCHEMBL30557460 0.93 HRH3 (0.37) PTGS2MAOAMAOBGRM2PTGS1
SCHEMBL30557465 0.88 PTGS2 (0.39) PTGS2MAOAMAOBGRM2PTGS1
SCHEMBL25364788 0.88 PTGS2 (0.39) PTGS2MAOAMAOBGRM2PTGS1
SCHEMBL25366146 0.87 HRH3 (0.47) PTGS2MAOAMAOBGRM2PTGS1
SCHEMBL30557377 0.87 HRH3 (0.47) PTGS2MAOAMAOBGRM2PTGS1
SCHEMBL25364691 0.81 CYP2D6 (0.40) PTGS2MAOAMAOBGRM2
SCHEMBL30557474 0.81 CYP2D6 (0.40) PTGS2MAOAMAOBGRM2
SCHEMBL25365541 0.80 PTGS2 (0.39) PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4479135-A1 SUBSTITUTED IMIDAZOPYRIDINYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 Bristol-Myers Squibb Company (US) 2024-12-25 — — EP disclosed
CN-118786130-A Substituted imidazopyridinyl compounds useful as TLR9 inhibitors 百时美施贵宝公司 2024-10-15 — — CN disclosed
WO-2023159154-A9 SUBSTITUTED IMIDAZOPYRIDINYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 BRISTOL-MYERS SQUIBB COMPANY (US) 2024-10-10 — — WO disclosed
WO-2023159154-A1 SUBSTITUTED IMIDAZOPYRIDINYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-24 — — WO disclosed
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