SCHEMBL5870409

SCHEMBL5870409

c1ccc(OCCN2CCCCCC2)cc1

nearest known ligand 0.83

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 11/20 0.83
PSMB1 P20618 2/20 0.73
PSMB5 P28074 2/20 0.73
BACE1 P56817 1/20 0.73
HRH3 Q9Y5N1 4/20 0.73
PSMB2 P49721 1/20 0.69
HRH1 P35367 1/20 0.68
KDM4E B2RXH2 1/20 0.68
ALDH1A1 P00352 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
KCNH2 Q12809 1/20 0.68

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
SCHEMBL3951411 1.00 LTA4H (0.83) LTA4HPSMB1PSMB5BACE1HRH3
Hydrochloric Acid SCHEMBL8475600 0.98 LTA4H (0.81) LTA4HPSMB1PSMB5BACE1HRH3
Bromide SCHEMBL4827747 0.98 LTA4H (0.81) LTA4HPSMB1PSMB5BACE1HRH3
SCHEMBL255201 0.98 LTA4H (0.86) LTA4HPSMB1PSMB5BACE1HRH3
Ammonia Solution, Strong SCHEMBL264615 0.96 LTA4H (0.83) LTA4HPSMB1PSMB5BACE1HRH3
SCHEMBL14500223 0.92 LTA4H (0.77) LTA4HPSMB1PSMB5BACE1HRH3
Anisole SCHEMBL28200949 0.92 LTA4H (0.71) LTA4HPSMB1PSMB5BACE1HRH3
SCHEMBL7141714 0.91 LTA4H (1.00) LTA4HPSMB1PSMB5HRH3
SCHEMBL4084100 0.91 HRH3 (0.87) LTA4HHRH3HRH1KDM4EALDH1A1
SCHEMBL2823877 0.91 HRH3 (0.87) LTA4HHRH3HRH1KDM4EALDH1A1

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-2013074965-A1 AMINOALKYL PHENOL ETHER INHIBITORS OF INFLUENZA A VIRUS MICROBIOTIX, INC. (US) 2013-05-23 WO disclosed
US-7105679-B2 Heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators KANOJIA RAMESH M 2006-09-12 US disclosed