SCHEMBL30557465

SCHEMBL30557465

CC(C)CN1CC2(C1)CN(c1ccc(-c3ccc4nc(-c5ccc(S(C)(=O)=O)cc5)n(C)c4n3)cc1)C2

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 17/20 0.39
▸ GRM2 Q14416 1/20 0.38
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ PTGS1 P23219 2/20 0.35
▸ CYP2D6 P10635 1/20 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
SCHEMBL25364788 1.00 PTGS2 (0.39) PTGS2GRM2MAOAMAOBPTGS1
SCHEMBL25364691 0.93 CYP2D6 (0.40) PTGS2GRM2MAOAMAOBCYP2D6
SCHEMBL30557474 0.93 CYP2D6 (0.40) PTGS2GRM2MAOAMAOBCYP2D6
SCHEMBL30557586 0.88 PTGS2 (0.40) PTGS2GRM2MAOAMAOBPTGS1
SCHEMBL25362939 0.88 PTGS2 (0.40) PTGS2GRM2MAOAMAOBPTGS1
SCHEMBL25368100 0.81 HRH3 (0.37) PTGS2GRM2MAOAMAOBPTGS1
SCHEMBL30557460 0.81 HRH3 (0.37) PTGS2GRM2MAOAMAOBPTGS1
SCHEMBL25368481 0.81 PTGS2 (0.38) PTGS2PTGS1CYP2D6
SCHEMBL30541620 0.81 PTGS2 (0.38) PTGS2PTGS1CYP2D6
SCHEMBL25368054 0.80 GRM2 (0.42) PTGS2GRM2MAOAMAOBPTGS1

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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