SCHEMBL31289932

SCHEMBL31289932

O=C(NCCCl)Nc1ccc(OCCN2CCOCC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 9/20 0.65
▸ SMN1; SMN2 Q16637 3/20 0.62
▸ CNR1 P21554 1/20 0.62
▸ BRAF P15056 1/20 0.61
▸ MAPK14 Q16539 1/20 0.61
▸ LMNA P02545 1/20 0.59
▸ MAPT P10636 2/20 0.57
▸ HRH3 Q9Y5N1 1/20 0.57
▸ KDR P35968 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52

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
SCHEMBL23747761 0.83 EPHX2 (0.73) EPHX2SMN1; SMN2CNR1BRAFMAPK14
SCHEMBL4974321 0.82 EPHX2 (0.70) EPHX2SMN1; SMN2BRAFMAPK14KDR
SCHEMBL11926736 0.81 KDM4E (0.65) EPHX2SMN1; SMN2BRAFMAPK14KDR
SCHEMBL10132797 0.80 EPHX2 (0.67) EPHX2BRAFMAPK14LMNAMAPT
SCHEMBL4264251 0.79 EPHX2 (1.00) EPHX2SMN1; SMN2CNR1BRAFMAPK14
SCHEMBL4256144 0.78 EPHX2 (1.00) EPHX2
SCHEMBL4269280 0.77 EPHX2 (0.86) EPHX2
SCHEMBL22834260 0.77 SMN1; SMN2 (1.00) EPHX2SMN1; SMN2CNR1LMNAMAPT
SCHEMBL18921088 0.77 EPHX2 (0.62) EPHX2SMN1; SMN2BRAFMAPK14LMNA
SCHEMBL6692679 0.76 CA12 (0.58) EPHX2MAPTGAAKDM4EALDH1A1

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-119161306-A Bicycloacetamide structural compound, preparation method and pharmaceutical application thereof 河南大学 2024-12-20 — — CN disclosed
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