SCHEMBL25355033

SCHEMBL25355033

O=C(O)NCC(F)CNCCCCNCC(F)CNC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ PKM P14618 1/20 0.38
▸ CA3 P07451 2/20 0.35
▸ CA5A P35218 2/20 0.35
▸ CA5B Q9Y2D0 2/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ CA6 P23280 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ PAOX Q6QHF9 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ POLB P06746 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ GRIN1 Q05586 2/20 0.31
▸ GRIN2A Q12879 2/20 0.31
▸ ALDH1A2 O94788 1/20 0.30

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
SCHEMBL25354165 0.77 CYP2D6 (0.43) CYP2D6CYP2C19PKMCA3CA5A
SCHEMBL25354333 0.75 CYP2D6 (0.52) CYP2D6CYP2C19PKMCA3CA5A
SCHEMBL3439112 0.73 — —
SCHEMBL3439209 0.73 — —
SCHEMBL6720465 0.73 — —
SCHEMBL2223466 0.73 — —
SCHEMBL25352173 0.73 — —
SCHEMBL3439229 0.71 — —
SCHEMBL3439158 0.71 — —
SCHEMBL18787283 0.71 — —

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
WO-2023154818-A1 MUCOSAL ADMINISTRATION METHODS AND FORMULATIONS MODERNATX, INC. (US) 2023-08-17 — — WO disclosed
WO-2023076598-A1 LIPID AMINES MODERNATX, INC. (US) 2023-05-04 — — WO disclosed
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