SCHEMBL6967835

SCHEMBL6967835

COC(=O)c1cc([N+](=O)[O-])ccc1C=CCC1CCCCC(=N)N1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
ALDH1A1 P00352 5/20 0.39
SLC6A3 Q01959 2/20 0.37
SLC6A4 P31645 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
OPRK1 P41145 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL6972070 1.00 HTT (0.39) HTTALDH1A1SLC6A3SLC6A4LMNA
SCHEMBL6978292 0.90 ALDH1A1 (0.41) HTTALDH1A1SLC6A3SLC6A4LMNA
SCHEMBL6978294 0.90 ALDH1A1 (0.41) HTTALDH1A1SLC6A3SLC6A4LMNA
SCHEMBL6972621 0.85 GAA (0.35) ALDH1A1MAPTKDM4EOPRK1PRMT5
SCHEMBL6969803 0.85 KDM4E (0.38) ALDH1A1MAPTKDM4EL3MBTL1SMN1; SMN2
SCHEMBL6969291 0.78 ALDH1A1 (0.39) HTTALDH1A1SLC6A3SLC6A4LMNA
SCHEMBL6969287 0.78 ALDH1A1 (0.39) HTTALDH1A1SLC6A3SLC6A4LMNA
SCHEMBL6967285 0.74 POLB (0.36) ALDH1A1MAPTKDM4EL3MBTL1SMN1; SMN2
SCHEMBL6980004 0.73 PARP1 (0.36) ALDH1A1LMNAKDM4ENPSR1L3MBTL1
SCHEMBL6980007 0.73 PARP1 (0.36) ALDH1A1LMNAKDM4ENPSR1L3MBTL1

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 10 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-6043261-A TREATMENT OF INFLAMMATORY CONDITIONS AFFECTING THE JOINTS, FOR EXAMPLE ARTHRITIS, INFLAMMATORY BOWEL DISEASE, CARDIOVASCULAR ISCHEMIA, DIABETES, HYPERALGESIA, CEREBRAL ISCHEMIA, THROMBOTIC STROKE, GLOBAL ISCHEMIA, NERVOUS SYSTEM DISORDERS G. D. SEARLE & CO. (US) 2000-03-28 US disclosed
US-6011028-A Cyclic amidino agents useful as nitric oxide synthase inhibitors G.D. SEARLE & CO. (US) 2000-01-04 US disclosed
US-5883251-A ENZYME INHIBITORS G. D. SEARLE & CO. (US) 1999-03-16 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