SCHEMBL8433775

SCHEMBL8433775

CCCCc1ncc(C[C@@]2(S)NC=CC=C2C(=O)O)n1Cc1ccc(C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.55
AGTR2 P50052 3/20 0.47

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
SCHEMBL9543099 0.88 AGTR1 (0.48) AGTR1
SCHEMBL8435148 0.80 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL5547472 0.77 AGTR1 (0.72) AGTR1
SCHEMBL9386724 0.73 AGTR1 (0.65) AGTR1
SCHEMBL8434040 0.73 AGTR1 (0.65) AGTR1
Formic Acid SCHEMBL27588918 0.73 AGTR1 (0.70) AGTR1
SCHEMBL8437135 0.72 AGTR1 (0.66) AGTR1AGTR2
SCHEMBL9386649 0.71 AGTR1 (0.65) AGTR1
SCHEMBL8438879 0.71 AGTR1 (0.68) AGTR1AGTR2
Water SCHEMBL9029753 0.71 AGTR1 (0.64) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5728842-A ANGIOTENSIN II RECEPTOR ANTAGONIST SMITHKLINE BEECHAM CORPORATION (US) 1998-03-17 US claimed
EP-0653937-A4 CHEMICAL COMPOUNDS. SMITHKLINE BEECHAM CORP (US) 1996-07-31 EP claimed
EP-0653937-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-05-24 EP claimed
WO-1994000120-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1994-01-06 WO claimed
US-5929249-A ANGIOTENSIN II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-07-27 US disclosed
US-5728842-A ANGIOTENSIN II RECEPTOR ANTAGONIST SMITHKLINE BEECHAM CORPORATION (US) 1998-03-17 US disclosed
EP-0653937-A4 CHEMICAL COMPOUNDS. SMITHKLINE BEECHAM CORP (US) 1996-07-31 EP disclosed
EP-0653937-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-05-24 EP disclosed
WO-1994000120-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1994-01-06 WO disclosed
WO-1993006828-A1 MEDICAMENT FOR THE TREATMENT OF ANXIETY SMITHKLINE BEECHAM CORPORATION (US) 1993-04-15 WO disclosed