SCHEMBL8957283

SCHEMBL8957283

CCCCc1ncc(C[C@H](NC(=O)CCC)C(=O)O)n1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.48
ALDH1A1 P00352 1/20 0.44
TLR7 Q9NYK1 1/20 0.42

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
SCHEMBL8957152 0.88 AGTR1 (0.61) AGTR1
SCHEMBL8957116 0.85 AGTR1 (0.57) AGTR1
SCHEMBL8971520 0.84 AGTR1 (0.48) AGTR1
SCHEMBL8957293 0.82 AGTR1 (0.53) AGTR1
SCHEMBL8957136 0.82 AGTR1 (0.55) AGTR1ALDH1A1
SCHEMBL8957212 0.81 AGTR1 (0.46) AGTR1
SCHEMBL7049832 0.81
SCHEMBL8957121 0.79 AGTR1 (0.50) AGTR1
SCHEMBL8957151 0.79 AGTR1 (0.46) AGTR1
SCHEMBL8971489 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5565480-A ANGIOTENSIN II RECEPTOR ANTAGONIST; USEFUL IN REGULATING HYPERTENSION, TREATMENT OF CONGESTIVE HEART FAILURE, RENAL FAILURE AND GLUCOMA SMITHKLINE BEECHAM CORPORATION (US) 1996-10-15 US disclosed
EP-0536262-A4 SUBSTITUTED HISTIDINES SMITHKLINE BEECHAM CORP (US) 1996-08-14 EP disclosed
US-5444081-A Treatment of hypertension, congestive heart failure, renal failure, glaucoma SMITHKLINE BEECHAM CORP (US) 1995-08-22 US disclosed
EP-0536262-A1 SUBSTITUTED HISTIDINES SMITHKLINE BEECHAM CORPORATION (US) 1993-04-14 EP disclosed
WO-1992000068-A1 SUBSTITUTED HISTIDINES SMITHKLINE BEECHAM CORPORATION (US) 1992-01-09 WO disclosed