SCHEMBL9704818

SCHEMBL9704818

CCCCc1nc2c(Cl)nccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.70
AGTR2 P50052 3/20 0.70
PPARG P37231 5/20 0.68

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
SCHEMBL9704828 0.86 TLR7 (0.53) AGTR1AGTR2PPARG
SCHEMBL9704682 0.85 AGTR2 (0.70) AGTR1AGTR2PPARG
SCHEMBL8396606 0.85 AGTR1 (0.75) AGTR1AGTR2PPARG
SCHEMBL9853622 0.84 AGTR1 (0.71) AGTR1AGTR2PPARG
SCHEMBL16486729 0.84 TLR7 (0.76)
SCHEMBL7842666 0.84 AGTR1 (0.77) AGTR1AGTR2PPARG
SCHEMBL7851749 0.83 AGTR1 (0.67) AGTR1AGTR2PPARG
SCHEMBL9873893 0.83 AGTR2 (0.71) AGTR1AGTR2
SCHEMBL8089253 0.83 AGTR2 (0.75) AGTR1AGTR2PPARG
SCHEMBL8089287 0.83 AGTR1 (0.69) 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-0470543-A1 Heterocyclic imidazoles, remedies containing them and processes for their preparation Dr. Karl Thomae GmbH (DE) 1992-02-12 EP disclosed