SCHEMBL8438466

SCHEMBL8438466

[CH2]c1cnc(CCCC)n1Cc1ccc(C(=O)OC)cc1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 16/20 0.59
AGTR2 P50052 4/20 0.59
TLR7 Q9NYK1 1/20 0.52

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
SCHEMBL9390638 0.92 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL1256316 0.85 AGTR1 (0.58) AGTR1AGTR2
SCHEMBL8439181 0.85 AGTR1 (0.60) AGTR1AGTR2
SCHEMBL7890351 0.85 AGTR1 (0.60) AGTR1AGTR2
SCHEMBL8522168 0.84 AGTR1 (0.59) AGTR1AGTR2
SCHEMBL946900 0.84 AGTR1 (0.67) AGTR1AGTR2
SCHEMBL8435232 0.84 AGTR1 (0.59) AGTR1AGTR2
SCHEMBL9204574 0.83 AGTR1 (0.58) AGTR1AGTR2
SCHEMBL8434213 0.81 AGTR1 (0.56) AGTR1AGTR2
Thioglycolic Acid SCHEMBL8433833 0.81 AGTR1 (0.60) AGTR1AGTR2

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 2 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