SCHEMBL8641981

SCHEMBL8641981

c1ccc(Cc2ccc(OCCN3CC[N]CC3)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 16/20 0.76
HRH3 Q9Y5N1 1/20 0.63
PSMB1 P20618 1/20 0.63
PSMB5 P28074 1/20 0.63
PSMB2 P49721 1/20 0.63

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
SCHEMBL654550 0.88 LTA4H (0.63) LTA4H
SCHEMBL7140970 0.86 LTA4H (1.00) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL7141103 0.85 LTA4H (1.00) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL7133844 0.85 LTA4H (1.00) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL8642188 0.84 LTA4H (0.78) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL7142372 0.82 LTA4H (1.00) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL7138464 0.82 LTA4H (1.00) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL7142393 0.81 LTA4H (0.85) LTA4H
SCHEMBL7142406 0.80 LTA4H (0.85) LTA4H
SCHEMBL7142387 0.79 HRH3 (0.97) LTA4HHRH3PSMB1PSMB5PSMB2

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
US-5723492-A LTA4 hydrolase inhibitor pharmaceutical compositions and methods of use G.D. SEARLE & CO. (US) 1998-03-03 US disclosed
US-5719306-A ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed