SCHEMBL25059331

SCHEMBL25059331

c1cc(OCCN2CCCC2)ccn1

nearest known ligand 0.87

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 14/20 0.87
CHRNB2 P17787 1/20 0.66
CHRNA4 P43681 1/20 0.66
PSMB1 P20618 1/20 0.62
PSMB5 P28074 1/20 0.62
PSMB2 P49721 1/20 0.62
PTGS2 P35354 5/20 0.61
HRH3 Q9Y5N1 2/20 0.60
KDM4E B2RXH2 1/20 0.58
PTGS1 P23219 1/20 0.58

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
SCHEMBL18837471 0.98 LTA4H (0.84) LTA4HCHRNB2CHRNA4PSMB1PSMB5
SCHEMBL7139563 0.87 LTA4H (1.00) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL20553175 0.83 LTA4H (1.00) LTA4HCHRNB2CHRNA4PSMB1PSMB5
SCHEMBL20553176 0.83 LTA4H (1.00) LTA4HCHRNB2CHRNA4PSMB1PSMB5
SCHEMBL255201 0.81 LTA4H (0.86) LTA4HPSMB1PSMB5HRH3KDM4E
SCHEMBL12050716 0.80 HRH3 (0.82) LTA4HHRH3
SCHEMBL7411609 0.80 CHRNB2 (1.00) LTA4HCHRNB2CHRNA4PTGS2
SCHEMBL3951411 0.79 LTA4H (0.83) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL3578646 0.79 HRH3 (0.90) LTA4HPSMB1PSMB5PSMB2HRH3
Ammonia Solution, Strong SCHEMBL264615 0.79 LTA4H (0.83) LTA4HPSMB1PSMB5HRH3KDM4E

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
EP-3498701-B1 PRMT5 INHIBITORS AND USES THEREOF EPIZYME INC (US) 2023-02-22 EP disclosed