SCHEMBL11487124

SCHEMBL11487124

CC(CCN1CCCCCC1)c1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.57
ACHE P22303 2/20 0.50
ALDH1A1 P00352 1/20 0.50
HRH3 Q9Y5N1 2/20 0.49
PSMB1 P20618 1/20 0.49
PSMB5 P28074 1/20 0.49
SLC6A4 P31645 1/20 0.48
SCN5A Q14524 1/20 0.47

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
SCHEMBL11487600 1.00 LTA4H (0.57) LTA4HACHEALDH1A1HRH3PSMB1
SCHEMBL11488829 0.99 LTA4H (0.58) LTA4HACHEALDH1A1PSMB1PSMB5
SCHEMBL11487807 0.87 HRH3 (0.57) LTA4HALDH1A1HRH3PSMB1PSMB5
SCHEMBL11487410 0.87 HRH3 (0.57) LTA4HALDH1A1HRH3PSMB1PSMB5
SCHEMBL11494698 0.87 ACHE (0.54) ACHESCN5A
SCHEMBL11487151 0.87 ACHE (0.54) ACHESCN5A
SCHEMBL11485735 0.86 ACHE (0.53) LTA4HACHEALDH1A1SLC6A4
SCHEMBL11489240 0.86 SIGMAR1 (0.54) LTA4HSLC6A4
SCHEMBL11489075 0.86 ALDH1A1 (0.43) LTA4HACHEALDH1A1HRH3PSMB1
SCHEMBL11496154 0.86 ALDH1A1 (0.43) LTA4HACHEALDH1A1HRH3PSMB1

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-4239759-A Morpholino containing compounds, compositions and use thereof MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1980-12-16 US disclosed
US-4110447-A Anti-inflammatory (halo-4-biphenylyl)-alkanolamines MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1978-08-29 US disclosed