SCHEMBL8551121

SCHEMBL8551121

N=C1CCCCCN1CCCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.54
SIGMAR1 Q99720 10/20 0.51
GRIN2B Q13224 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
SLC6A3 Q01959 1/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 1/20 0.44

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
SCHEMBL5872083 0.81 L3MBTL1 (0.67) LTA4HSIGMAR1L3MBTL1SLC6A3GAA
SCHEMBL8325936 0.78 L3MBTL1 (0.62) SIGMAR1HRH3L3MBTL1GAASMN1; SMN2
SCHEMBL83687 0.74 SIGMAR1 (0.86) LTA4HSIGMAR1GRIN2BHRH3SLC6A3
SCHEMBL12593804 0.74 INMT (0.46) HRH3SMN1; SMN2POLB
SCHEMBL8882276 0.74 L3MBTL1 (0.57) SIGMAR1GRIN2BL3MBTL1SLC6A3GAA
SCHEMBL17117358 0.73 SIGMAR1 (0.56) LTA4HSIGMAR1GRIN2BSLC6A3POLB
SCHEMBL8321647 0.73 L3MBTL1 (0.55) SIGMAR1HRH3L3MBTL1GAASMN1; SMN2
Ammonia Solution, Strong SCHEMBL28704893 0.73 SIGMAR1 (0.83) LTA4HSIGMAR1GRIN2BHRH3SLC6A3
SCHEMBL20382580 0.73 LTA4H (0.86) LTA4HSIGMAR1GRIN2BHRH3SLC6A3
Hydrochloric Acid SCHEMBL8037018 0.73 SIGMAR1 (0.83) LTA4HSIGMAR1GRIN2BHRH3SLC6A3

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-0821674-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1998-02-04 EP claimed