SCHEMBL25168107

SCHEMBL25168107

CN1CCN(c2ccc(NCc3ccccc3O)cn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ MAPT P10636 3/20 0.48
▸ RAB9A P51151 4/20 0.47
▸ GFER P55789 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ GAA P10253 2/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ JAK2 O60674 1/20 0.44
▸ ALOX12 P18054 1/20 0.43
▸ HTR3A P46098 1/20 0.43
▸ HRH4 Q9H3N8 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42
▸ PPARG P37231 1/20 0.42

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
SCHEMBL25174204 0.85 RAB9A (0.53) MAPTRAB9AGFERSMN1; SMN2KDM4E
SCHEMBL25442726 0.85 RAB9A (0.49) L3MBTL1MAPTRAB9AGFERSMN1; SMN2
SCHEMBL12845127 0.77 RAB9A (0.53) L3MBTL1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL3058922 0.72 HRH4 (0.53) L3MBTL1MAPTRAB9AGFERSMN1; SMN2
SCHEMBL12845203 0.72 RAB9A (0.57) L3MBTL1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL6278896 0.72 KMT2A (0.54) L3MBTL1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL25168109 0.72 RAB9A (0.57) MAPTRAB9AGFERSMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL3826981 0.72 HRH4 (0.52) L3MBTL1MAPTRAB9AGFERSMN1; SMN2
SCHEMBL14824927 0.71 RAB9A (0.56) L3MBTL1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL25442725 0.71 MAPT (0.55) L3MBTL1MAPTRAB9AGFERSMN1; SMN2

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
EP-4177246-A1 FUSED OXAZEPINES AS INHIBITORS OF PEROXIREDOXINS Centro Atlántico del Medicamento, SA (ES) 2023-05-10 — — EP disclosed
EP-4177246-A1 FUSED OXAZEPINES AS INHIBITORS OF PEROXIREDOXINS Centro Atlántico del Medicamento, SA (ES) 2023-05-10 — — EP disclosed
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