SCHEMBL8439336

SCHEMBL8439336

CCCCc1ncc(CSc2ccc(C(=O)O)cc2)n1Cc1ccc(C(=O)O)cc1.COC(=O)c1ccc(S)cc1.O=C(O)C(S)Cc1cccs1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.48
AGTR2 P50052 2/20 0.48
ABCC3 O15438 1/20 0.48
ABCC2 Q92887 1/20 0.48

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
Water SCHEMBL8436411 0.89 AGTR1 (0.45) AGTR1AGTR2ABCC3ABCC2
SCHEMBL8435150 0.84 AGTR1 (0.45) AGTR1AGTR2ABCC3ABCC2
SCHEMBL8437135 0.78 AGTR1 (0.66) AGTR1AGTR2
SCHEMBL8954159 0.77 AGTR1 (0.61) AGTR1AGTR2ABCC3ABCC2
SCHEMBL8536511 0.76 AGTR1 (0.67) AGTR1AGTR2ABCC3ABCC2
SCHEMBL8434040 0.76 AGTR1 (0.65) AGTR1
SCHEMBL9386724 0.76 AGTR1 (0.65) AGTR1
SCHEMBL9211004 0.75 AGTR1 (0.57) AGTR1AGTR2ABCC3ABCC2
SCHEMBL8435148 0.75 AGTR1 (0.42) AGTR1AGTR2ABCC3ABCC2
SCHEMBL7373018 0.74 AGTR1 (0.56) AGTR1AGTR2ABCC3ABCC2

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-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