SCHEMBL26066022

SCHEMBL26066022

COCCCCCN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2C)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ DRD2 P14416 7/20 0.38
▸ DRD3 P35462 7/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ TRPV4 Q9HBA0 1/20 0.38
▸ OPRM1 P35372 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37

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
SCHEMBL26065982 0.92 L3MBTL1 (0.39) L3MBTL1DRD2DRD3MEN1KMT2A
SCHEMBL25373588 0.87 TRPV4 (0.40) DRD2DRD3KMT2AALDH1A1MAPT
SCHEMBL30567039 0.87 TRPV4 (0.40) DRD2DRD3KMT2AALDH1A1MAPT
SCHEMBL26066053 0.84 L3MBTL1 (0.45) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL26066023 0.84 TRPV4 (0.38) L3MBTL1DRD2DRD3MEN1KMT2A
SCHEMBL26065997 0.82 L3MBTL1 (0.38) L3MBTL1DRD2DRD3MEN1KMT2A
SCHEMBL26066051 0.81 KMT2A (0.43) L3MBTL1DRD2DRD3MEN1KMT2A
SCHEMBL26065980 0.81 POLB (0.54) MEN1KMT2AALDH1A1MAPTTRPV4
SCHEMBL26066052 0.81 DRD2 (0.44) DRD2DRD3MEN1KMT2AALDH1A1
SCHEMBL26066000 0.80 SMN1; SMN2 (0.41) L3MBTL1DRD2DRD3MEN1KMT2A

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
WO-2023164063-A1 EMOPAMIL-BINDING PROTEIN INHIBITORS AND USES THEREOF BIOGEN MA INC. (US) 2023-08-31 — — WO disclosed
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