SCHEMBL8716401

SCHEMBL8716401

O=C(O)CC1CCN(CCOC2c3ccccc3C=Cc3ccccc32)C1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.46
SLC6A1 P30531 1/20 0.41
RET P07949 1/20 0.41
S1PR5 Q9H228 1/20 0.37
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
SLC18A3 Q16572 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL8712827 0.86 LTA4H (0.46) LTA4HSLC6A1
SCHEMBL8685369 0.86 LTA4H (0.46) LTA4HSLC6A1S1PR5ALDH1A1KMT2A
SCHEMBL8690225 0.85 LTA4H (0.46) LTA4HSLC6A1
SCHEMBL8690299 0.85 LTA4H (0.45) LTA4HSLC6A1S1PR5KDM4EALDH1A1
SCHEMBL8712871 0.75 LTA4H (0.57) LTA4HSLC6A1
SCHEMBL6628169 0.72 CCR3 (0.59) LTA4H
SCHEMBL6630519 0.72 CCR3 (0.59) LTA4H
SCHEMBL8635915 0.71 LTA4H (0.83) LTA4H
SCHEMBL8716399 0.70 LTA4H (0.43) LTA4HS1PR5KDM4EALDH1A1MEN1
SCHEMBL9084665 0.70 SLC6A1 (0.67) SLC6A1

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-0825981-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1998-03-04 EP disclosed
WO-1996031468-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1996-10-10 WO disclosed