SCHEMBL28932570

SCHEMBL28932570

CCCCCCc1cc2ccccc2n1C(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OXER1 Q8TDS5 11/20 0.54
▸ DHFR P00374 1/20 0.43
▸ AGTR1 P30556 1/20 0.38
▸ AGTR2 P50052 1/20 0.38
▸ KCNH2 Q12809 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ TLR8 Q9NR97 1/20 0.36
▸ PLA2G4A P47712 1/20 0.36
▸ TLR7 Q9NYK1 1/20 0.36

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
SCHEMBL19135849 0.80 DHFR (0.43) OXER1DHFR
SCHEMBL3696937 0.80 OXER1 (0.54) OXER1
SCHEMBL28223276 0.78 OXER1 (0.53) OXER1
SCHEMBL14387000 0.76 OXER1 (0.54) OXER1AGTR1AGTR2PLA2G4A
SCHEMBL14386995 0.76 OXER1 (0.54) OXER1AGTR1AGTR2
SCHEMBL3847993 0.75 OXER1 (0.51) OXER1AGTR1AGTR2TLR8
SCHEMBL31333097 0.74 OXER1 (0.47) OXER1AGTR1AGTR2KCNH2MAPT
SCHEMBL14386999 0.74 AGTR1 (0.61) OXER1AGTR1AGTR2PLA2G4A
SCHEMBL30712266 0.73 OXER1 (0.64) OXER1
SCHEMBL28623424 0.73 OPRM1 (0.53) OXER1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113912529-B Method for synthesizing indole compounds by catalyzing N-aryl amide compounds and vinylene carbonate with ruthenium 成都大学 2023-07-25 — — CN disclosed
CN-113912529-A Method for synthesizing indole compound by catalyzing N-aryl amide compound and vinylene carbonate with ruthenium 成都大学 2022-01-11 — — CN disclosed
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