SCHEMBL8957278

SCHEMBL8957278

CCCCC(C(=O)NC(Cc1c[nH]cn1)C(=O)O)C(C)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 8/20 0.40
▸ MME P08473 7/20 0.40
▸ CPA1 P15085 6/20 0.40
▸ ACE2 Q9BYF1 6/20 0.40
▸ PDF Q9HBH1 1/20 0.40
▸ SSTR3 P32745 1/20 0.40
▸ PTGES O14684 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ CA2 P00918 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ WDR5 P61964 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ CTSL P07711 2/20 0.36
▸ ALDH1A1 P00352 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
SCHEMBL8957141 0.88 ACE (0.42) ACEMMECPA1ACE2
SCHEMBL8957107 0.84 ACE (0.39) ACEMMECPA1ACE2
SCHEMBL8957132 0.82 HCAR3 (0.38) MMEALDH1A1
SCHEMBL8971441 0.82 ACE (0.40) ACEMMECPA1ACE2
SCHEMBL8957204 0.82 ACE (0.42) ACEMMECPA1ACE2
SCHEMBL8971512 0.81 ACE (0.37) ACEMMECPA1ACE2CA2
SCHEMBL7049829 0.79 MME (0.41) ACEMMECPA1ACE2
SCHEMBL8957142 0.77 MME (0.36) ACEMMECPA1ACE2
SCHEMBL8957110 0.76 MME (0.35) ACEMMECPA1ACE2
SCHEMBL30553466 0.72 DPP7 (0.40) ACEMMECPA1ACE2

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 4 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
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
Send feedback