SCHEMBL7320139

SCHEMBL7320139

CCCCc1nc(C=CC(=O)OCC)c(Cl)n1Cc1ccc(N)cc1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.44
AGTR2 P50052 2/20 0.44
TLR7 Q9NYK1 2/20 0.42

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
SCHEMBL9025469 0.87 TLR7 (0.43) AGTR1AGTR2TLR7
SCHEMBL6959483 0.86 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL765 0.86 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL7319297 0.74 TLR7 (0.48) AGTR1AGTR2TLR7
SCHEMBL909 0.73 AGTR1 (0.46) AGTR1AGTR2TLR7
SCHEMBL910 0.73 AGTR1 (0.46) AGTR1AGTR2TLR7
SCHEMBL7315630 0.71 AGTR1 (0.47) AGTR1AGTR2TLR7
SCHEMBL18003756 0.71 TLR7 (0.47) AGTR1AGTR2TLR7
SCHEMBL8483902 0.69 AGTR1 (0.44) AGTR1AGTR2
Butane SCHEMBL10441839 0.69 PPID (0.40)

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
WO-1995015325-A1 IMIDAZOLYL-ALKENOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1995-06-08 WO disclosed
EP-0253310-A2 Angiotensin II receptor blocking imidazoles E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-01-20 EP disclosed