SCHEMBL6973770

SCHEMBL6973770

COC(=O)C1CCCN1CCC1CCCCC(=N)N1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.44
ALDH1A1 P00352 4/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 2/20 0.36
F2 P00734 1/20 0.36
PARP1 P09874 1/20 0.35
FKBP1A P62942 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
GRM2 Q14416 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
CD274 Q9NZQ7 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL6972849 0.71
SCHEMBL10370406 0.71 LTA4H (0.51) LTA4HALDH1A1GAAL3MBTL1KDM4E
SCHEMBL10182480 0.71 FKBP1A (0.51) LTA4HALDH1A1GAAL3MBTL1KDM4E
SCHEMBL18482504 0.71 FKBP1A (0.51) LTA4HALDH1A1GAAL3MBTL1KDM4E
SCHEMBL9649182 0.71 FKBP1A (0.51) LTA4HALDH1A1GAAL3MBTL1KDM4E
SCHEMBL23715749 0.70 LTA4H (0.56) LTA4HALDH1A1GAAL3MBTL1FKBP1A
SCHEMBL10184642 0.70 LTA4H (0.50) LTA4HALDH1A1GAAL3MBTL1KDM4E
SCHEMBL23775652 0.70 LTA4H (0.50) LTA4HALDH1A1GAAL3MBTL1FKBP1A
SCHEMBL21011794 0.70 LTA4H (0.50) LTA4HALDH1A1GAAL3MBTL1FKBP1A
SCHEMBL23775396 0.70 LTA4H (0.50) LTA4HALDH1A1GAAL3MBTL1FKBP1A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0821674-B1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2003-08-06 EP claimed
US-6011028-A Cyclic amidino agents useful as nitric oxide synthase inhibitors G.D. SEARLE & CO. (US) 2000-01-04 US claimed
EP-0821674-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1998-02-04 EP claimed
WO-1996033175-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1996-10-24 WO claimed
EP-0821674-B1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2003-08-06 EP disclosed
US-6011028-A Cyclic amidino agents useful as nitric oxide synthase inhibitors G.D. SEARLE & CO. (US) 2000-01-04 US disclosed
EP-0821674-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1998-02-04 EP disclosed
WO-1996033175-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1996-10-24 WO disclosed