SCHEMBL29210364

SCHEMBL29210364

O=C1OCCN1C(=O)c1ccc2ncccc2c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 5/20 0.52
▸ FAAH O00519 2/20 0.52
▸ ALOX15 P16050 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ PLK1 P53350 1/20 0.49
▸ DPP4 P27487 1/20 0.48
▸ DPP8 Q6V1X1 1/20 0.48
▸ DOT1L Q8TEK3 1/20 0.47
▸ HPGD P15428 1/20 0.46
▸ HTR3A P46098 1/20 0.46
▸ CNR1 P21554 1/20 0.44
▸ CNR2 P34972 1/20 0.44
▸ CCR3 P51677 1/20 0.44

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
SCHEMBL29210374 0.84 HPGD (0.57) NAAAFAAHHPGD
SCHEMBL6984876 0.79 MKNK1 (0.62) ALOX15HTTPLK1DPP4DPP8
SCHEMBL28256059 0.77 HPGD (0.57) ALOX15HTTPLK1DPP4DPP8
SCHEMBL30983314 0.77 MKNK1 (0.55) ALOX15HTTPLK1DPP4DPP8
SCHEMBL3296940 0.76 HPGD (0.56) ALOX15HTTPLK1DPP4DPP8
SCHEMBL6986208 0.76 HPGD (0.71) ALOX15HTTPLK1DPP4DPP8
SCHEMBL31428718 0.75 HPGD (0.55) ALOX15HTTPLK1DPP4DPP8
Ethylene SCHEMBL8381547 0.74 HPGD (0.54) ALOX15HTTPLK1DPP4DPP8
SCHEMBL31428565 0.74 RIPK1 (0.60) ALOX15HTTPLK1DPP4DPP8
SCHEMBL31428919 0.73 CCR3 (0.55) ALOX15HTTDPP4DPP8DOT1L

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117986245-A Detection reagent for metal alkoxide, preparation and application thereof 北京瑞博奥医药科技有限公司 2024-05-07 — — CN disclosed
Send feedback