SCHEMBL9705804

SCHEMBL9705804

CCCCc1nc2cc(N3CCCCC3=O)c(C)nc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.58
AGTR2 P50052 2/20 0.58
PPARG P37231 1/20 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
SCHEMBL9705809 0.90 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL9703946 0.86 AGTR2 (0.64) AGTR1AGTR2PPARG
SCHEMBL9704891 0.85 AGTR1 (0.68) AGTR1AGTR2PPARG
SCHEMBL9704715 0.85 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9704668 0.85 AGTR1 (0.58) AGTR1AGTR2PPARG
SCHEMBL9704813 0.80 PPARG (0.57) PPARG
SCHEMBL9704741 0.79 AGTR1 (0.74) AGTR1AGTR2PPARG
SCHEMBL9704940 0.79 AGTR1 (0.65) AGTR1AGTR2PPARG
SCHEMBL8790407 0.78 PPARG (0.68) PPARG
SCHEMBL9705984 0.78 AGTR1 (0.64) 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