SCHEMBL6978703

SCHEMBL6978703

O=C1CCCCC(CC2CC(C(=O)O)=NO2)N1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
ITGB3 P05106 1/20 0.30
ITGB2 P05107 1/20 0.30
ITGB1 P05556 1/20 0.30
ITGAV P06756 1/20 0.30
ITGA2B P08514 1/20 0.30
ITGA5 P08648 1/20 0.30
ITGB5 P18084 1/20 0.30
ITGAL P20701 1/20 0.30
CTSD P07339 1/20 0.30

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
SCHEMBL6979948 0.86 LMNA (0.35) LMNA
SCHEMBL6970445 0.83 ALDH1A1 (0.45) LMNA
SCHEMBL6980085 0.80
SCHEMBL6975933 0.79
SCHEMBL6975783 0.77
SCHEMBL6969454 0.77 ALDH1A1 (0.42) LMNA
SCHEMBL8392806 0.76 JAK1 (0.33)
SCHEMBL8392804 0.76
SCHEMBL6974016 0.75 RAB9A (0.35)
SCHEMBL6974131 0.73 TP53 (0.31)

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 6 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 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