SCHEMBL9756342

SCHEMBL9756342

CCCCc1nc2c(C(=O)O)cccc2n1Cc1ccc(C#N)cc1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.56
AGTR2 P50052 5/20 0.56
PPARG P37231 8/20 0.55

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
SCHEMBL9124517 0.89 TLR7 (0.47) AGTR1AGTR2PPARG
SCHEMBL9125473 0.87 AGTR1 (0.71) AGTR1AGTR2PPARG
SCHEMBL8394944 0.82 AGTR1 (0.70) AGTR1AGTR2PPARG
SCHEMBL9122396 0.78 AGTR1 (0.66) AGTR1AGTR2PPARG
SCHEMBL9756302 0.78 AGTR1 (0.70) AGTR1AGTR2PPARG
SCHEMBL8396606 0.77 AGTR1 (0.75) AGTR1AGTR2PPARG
SCHEMBL8089308 0.77 TLR7 (0.44) AGTR1AGTR2
SCHEMBL9191552 0.76 PPARG (0.58) AGTR1AGTR2PPARG
SCHEMBL8395682 0.75 AGTR1 (0.72) AGTR1AGTR2PPARG
SCHEMBL8393824 0.74 AGTR1 (0.70) AGTR1AGTR2PPARG

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0461040-A1 Imidazol derivatives, their process for production, intermediates, their application as medicaments and the pharmaceutical compositions containing them ROUSSEL UCLAF (FR) 1991-12-11 EP disclosed