SCHEMBL5133186

SCHEMBL5133186

CCCc1nc(CC)c(C(=O)O)n1Cc1ccc(SC2(C(=O)O)CC=CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.52
AGTR2 P50052 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
SCHEMBL9003683 0.78 AGTR1 (0.59) AGTR1AGTR2
Hydrochloric Acid SCHEMBL9003832 0.77 AGTR1 (0.58) AGTR1AGTR2
SCHEMBL29308424 0.73 AGTR1 (0.65) AGTR1AGTR2
SCHEMBL244553 0.72 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL21083786 0.71 AGTR1 (0.64) AGTR1
SCHEMBL29726885 0.71 AGTR1 (0.64) AGTR1
SCHEMBL29392553 0.69 AGTR1 (1.00) AGTR1AGTR2
SCHEMBL6556676 0.68 AGTR1 (0.73) AGTR1AGTR2
SCHEMBL31062488 0.68 AGTR1 (0.60) AGTR1AGTR2
SCHEMBL28421136 0.66 AGTR1 (0.62) 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
EP-1996183-A1 METHOD OF TREATMENT OR PROPHYLAXIS INFLAMMATORY PAIN THE UNIVERSITY OF QUEENSLAND (AU) 2008-12-03 EP disclosed
WO-2007106938-A1 METHOD OF TREATMENT OR PROPHYLAXIS INFLAMMATORY PAIN THE UNIVERSITY OF QUEENSLAND (AU) 2007-09-27 WO disclosed