SCHEMBL8957267

SCHEMBL8957267

CCC=Cc1ncc(C[C@H](NC(=O)CCC)C(=O)O)n1Cc1ccc(C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.41
ITGA2B P08514 4/20 0.41
AGTR1 P30556 3/20 0.41
FAAH O00519 1/20 0.36

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
SCHEMBL8957293 0.83 AGTR1 (0.53) AGTR1
SCHEMBL8957152 0.81 AGTR1 (0.61) AGTR1
SCHEMBL8957116 0.80 AGTR1 (0.57) AGTR1
SCHEMBL8957121 0.71 AGTR1 (0.50) AGTR1
SCHEMBL8971520 0.71 AGTR1 (0.48) AGTR1
SCHEMBL8957283 0.70 AGTR1 (0.48) AGTR1
SCHEMBL8957136 0.69 AGTR1 (0.55) AGTR1
SCHEMBL8957212 0.67 AGTR1 (0.46) AGTR1
SCHEMBL7056871 0.67 PTGES (0.44)
SCHEMBL8957151 0.66 AGTR1 (0.46) AGTR1

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